ethyl 4-(3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-(3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
ethyl 4-(3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0015703 |
| Compound Name: | ethyl 4-(3-benzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperazine-1-carboxylate |
| Molecular Weight: | 587.65 |
| Molecular Formula: | C30 H29 N5 O6 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3166 |
| logD: | 4.3166 |
| logSw: | -4.3119 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 98.581 |
| InChI Key: | BTORIGSVOVGPFF-UHFFFAOYSA-N |