N-(3-nitrophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-nitrophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
N-(3-nitrophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D365-0125 |
| Compound Name: | N-(3-nitrophenyl)-2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 360.39 |
| Molecular Formula: | C16 H16 N4 O4 S |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCC(Nc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2254 |
| logD: | 2.0101 |
| logSw: | -2.8956 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.003 |
| InChI Key: | HCOSMMJPGJGPPF-UHFFFAOYSA-N |