4-(5-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
4-(5-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
4-(5-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | 5417-0904 |
| Compound Name: | 4-(5-{[2-(2-nitroanilino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 399.39 |
| Molecular Formula: | C16 H13 N7 O4 S |
| Smiles: | C(C(Nc1ccccc1[N+]([O-])=O)=O)Sc1nnnn1c1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2874 |
| logD: | 1.2769 |
| logSw: | -2.4074 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 129.48 |
| InChI Key: | MLHHJZBDBPEAJJ-UHFFFAOYSA-N |