ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0015503 |
| Compound Name: | ethyl 4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 573.63 |
| Molecular Formula: | C29 H27 N5 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6037 |
| logD: | 3.6035 |
| logSw: | -3.8721 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 97.969 |
| InChI Key: | BDKVYYCGLUVUHI-UHFFFAOYSA-N |