N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0239 |
| Compound Name: | N-cyclopentyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 508.6 |
| Molecular Formula: | C26 H28 N4 O5 S |
| Smiles: | C1CCC(C1)NC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7678 |
| logD: | 3.7678 |
| logSw: | -4.1095 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.312 |
| InChI Key: | ZBPVFHIQLAYWRZ-OAQYLSRUSA-N |