TL;DR: N-cyclohexyl-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide (CAS 1041440-74-7) is a chemical compound with molecular formula C26H27N5O4S and molecular weight 505.17838 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-cyclohexyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
Also Known As: N-cyclohexyl-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide, F6548-3859, N-cyclohexyl-3-[5-[(3-nitrophenyl)methylsulfanyl]-3-oxo-2H-imidazo[1,2-c]quinazolin-2-yl]propanamide
| Molecular Formula | C26H27N5O4S |
| Molecular Weight | 505.17838 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 505.17838 Da |
| Heavy Atoms | 36 |
| Complexity | 913.0 |
| SMILES | C1CCC(CC1)NC(=O)CCC2C(=O)N3C(=N2)C4=CC=CC=C4N=C3SCC5=CC(=CC=C5)[N+](=O)[O-] |
| InChIKey | WNAYFEXREJJMDU-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that N-cyclohexyl-3-(5-{[(3-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-cyclohexyl-3-(5-{[(3-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-cyclohexyl-3-(5-{[(3-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-cyclohexyl-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 1041440-74-7.
The molecular formula of N-cyclohexyl-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is C26H27N5O4S.
The molecular weight of N-cyclohexyl-3-(5-{[(3-nitrophenyl)methyl]sulfanyl}-3-oxo-2H,3H-imidazo[1,2-c]quinazolin-2-yl)propanamide is 505.17838 g/mol.
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