N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015914 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 585.08 |
| Molecular Formula: | C31 H25 Cl N4 O4 S |
| Smiles: | C(CN1C(=Nc2cc(ccc2C1=O)C(NCc1cccc(c1)[Cl])=O)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.2441 |
| logD: | 6.2441 |
| logSw: | -6.1674 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.544 |
| InChI Key: | NWGLWQIEAHFKCW-UHFFFAOYSA-N |