TL;DR: 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide (CAS 1023367-57-8) is a chemical compound with molecular formula C31H30FN5O3S and molecular weight 571.2053 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide
Also Known As: 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide, F6548-3998, 2-[[2-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl]-N-[(4-methylphenyl)methyl]butanamide, 2-((2-(2-((4-fluorobenzyl)amino)-2-oxoethyl)-3-oxo-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl)thio)-N-(4-methylbenzyl)butanamide
| Molecular Formula | C31H30FN5O3S |
| Molecular Weight | 571.2053 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 571.2053 Da |
| Heavy Atoms | 41 |
| Complexity | 1020.0 |
| SMILES | CCC(C(=O)NCC1=CC=C(C=C1)C)SC2=NC3=CC=CC=C3C4=NC(C(=O)N42)CC(=O)NCC5=CC=C(C=C5)F |
| InChIKey | YYTQNNHOSBWSHA-UHFFFAOYSA-N |
The XLogP value of 4.5 indicates that 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide. Following Lipinski's Rule of Five, 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide is 1023367-57-8.
The molecular formula of 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide is C31H30FN5O3S.
The molecular weight of 2-{[2-({[(4-fluorophenyl)methyl]carbamoyl}methyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-5-yl]sulfanyl}-N-[(4-methylphenyl)methyl]butanamide is 571.2053 g/mol.
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