2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Chemical Structure Depiction of
2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide
Compound characteristics
| Compound ID: | Y510-5002 |
| Compound Name: | 2-[(5-nitro-1H-benzimidazol-2-yl)sulfanyl]-N-{5-[(prop-2-en-1-yl)sulfanyl]-1,3,4-thiadiazol-2-yl}acetamide |
| Molecular Weight: | 408.48 |
| Molecular Formula: | C14 H12 N6 O3 S3 |
| Smiles: | C=CCSc1nnc(NC(CSc2nc3cc(ccc3[nH]2)[N+]([O-])=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.4913 |
| logD: | 2.8381 |
| logSw: | -3.8778 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.417 |
| InChI Key: | KYXWIEXCCLOYOJ-UHFFFAOYSA-N |