N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015514 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 557.03 |
| Molecular Formula: | C29 H21 Cl N4 O4 S |
| Smiles: | C(c1cccc(c1)[Cl])NC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4322 |
| logD: | 5.4321 |
| logSw: | -5.9141 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.954 |
| InChI Key: | QYRVJUOLUJHGBG-UHFFFAOYSA-N |