TL;DR: N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide (CAS 1043453-37-7) is a chemical compound with molecular formula C28H24FN5O3S and molecular weight 529.1584 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide, F6548-3685, N-benzyl-3-[5-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
| Molecular Formula | C28H24FN5O3S |
| Molecular Weight | 529.1584 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.1584 Da |
| Heavy Atoms | 38 |
| Complexity | 945.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC(=O)NC5=CC=C(C=C5)F |
| InChIKey | KDQZBSXVLRCGFC-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide 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 N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide. Following Lipinski's Rule of Five, N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is 1043453-37-7.
The molecular formula of N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is C28H24FN5O3S.
The molecular weight of N-benzyl-3-[5-({[(4-fluorophenyl)carbamoyl]methyl}sulfanyl)-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl]propanamide is 529.1584 g/mol.
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