4-(5-{[1-(2-amino-2-oxoethyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
4-(5-{[1-(2-amino-2-oxoethyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-1H-tetrazol-1-yl)benzamide
4-(5-{[1-(2-amino-2-oxoethyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | 8014-9191 |
| Compound Name: | 4-(5-{[1-(2-amino-2-oxoethyl)-3-nitro-1H-1,2,4-triazol-5-yl]sulfanyl}-1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 390.34 |
| Molecular Formula: | C12 H10 N10 O4 S |
| Smiles: | C(C(N)=O)n1c(nc(n1)[N+]([O-])=O)Sc1nnnn1c1ccc(cc1)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | -0.9482 |
| logD: | -0.9482 |
| logSw: | -1.7484 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 164.284 |
| InChI Key: | YSTZZYKLDVFMAQ-UHFFFAOYSA-N |