4-nitro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzamide
Chemical Structure Depiction of
4-nitro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzamide
4-nitro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzamide
Compound characteristics
| Compound ID: | D048-0148 |
| Compound Name: | 4-nitro-N-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzamide |
| Molecular Weight: | 370.39 |
| Molecular Formula: | C16 H14 N6 O3 S |
| Smiles: | C(CSc1nnnn1c1ccccc1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2178 |
| logD: | 2.2178 |
| logSw: | -2.7123 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.797 |
| InChI Key: | KZFKKWIZSCJEMB-UHFFFAOYSA-N |