N-(4-nitrophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(4-nitrophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
N-(4-nitrophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C254-0006 |
| Compound Name: | N-(4-nitrophenyl)-2-[(8-oxo-5,6,7,8-tetrahydro[1,3,4]thiadiazolo[3,2-a][1,3]diazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C14 H13 N5 O4 S2 |
| Smiles: | C1CC(N=C2N(C1)N=C(SCC(Nc1ccc(cc1)[N+]([O-])=O)=O)S2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.953 |
| logD: | 1.9517 |
| logSw: | -2.5376 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.178 |
| InChI Key: | FQAWTHXAZWXNEO-UHFFFAOYSA-N |