TL;DR: 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide (CAS 1037168-59-4) is a chemical compound with molecular formula C28H25FN4O3S and molecular weight 516.16315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
Also Known As: 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide, BRD-A87349480-001-01-1, K279-0740, F6548-3718, 3-[5-[(3-fluorophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]-N-[(4-methoxyphenyl)methyl]propanamide
| Molecular Formula | C28H25FN4O3S |
| Molecular Weight | 516.16315 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 516.16315 Da |
| Heavy Atoms | 37 |
| Complexity | 891.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)F |
| InChIKey | SSHXKNIUTHDEPR-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide. Following Lipinski's Rule of Five, 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is 1037168-59-4.
The molecular formula of 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is C28H25FN4O3S.
The molecular weight of 3-(5-{[(3-fluorophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)-N-[(4-methoxyphenyl)methyl]propanamide is 516.16315 g/mol.
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