4-(5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
4-(5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
4-(5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | 3448-5995 |
| Compound Name: | 4-(5-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 384.37 |
| Molecular Formula: | C16 H12 N6 O4 S |
| Smiles: | C(C(c1ccc(cc1)[N+]([O-])=O)=O)Sc1nnnn1c1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5939 |
| logD: | 1.5939 |
| logSw: | -2.2458 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 120.576 |
| InChI Key: | WJURVOBFSQJYLX-UHFFFAOYSA-N |