TL;DR: N-benzyl-3-(5-{[(4-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide (CAS 1028072-17-4) is a chemical compound with molecular formula C27H23N5O4S and molecular weight 513.1471 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-benzyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-benzyl-3-(5-{[(4-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide, F6548-3681, N-benzyl-3-[5-[(4-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
| Molecular Formula | C27H23N5O4S |
| Molecular Weight | 513.1471 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.1471 Da |
| Heavy Atoms | 37 |
| Complexity | 920.0 |
| SMILES | C1=CC=C(C=C1)CNC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC5=CC=C(C=C5)[N+](=O)[O-] |
| InChIKey | HIKHFHQOCWJAQE-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that N-benzyl-3-(5-{[(4-nitrophenyl)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 145.0 Ų indicates high polarity, suggesting N-benzyl-3-(5-{[(4-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-benzyl-3-(5-{[(4-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide has 1 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-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 1028072-17-4.
The molecular formula of N-benzyl-3-(5-{[(4-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is C27H23N5O4S.
The molecular weight of N-benzyl-3-(5-{[(4-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 513.1471 g/mol.
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