2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | 8019-5493 |
| Compound Name: | 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 334.42 |
| Molecular Formula: | C13 H14 N6 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSc1nc(N)n[nH]1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.5265 |
| logD: | 0.4694 |
| logSw: | -1.9467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 93.132 |
| InChI Key: | ZVMVSBWOXHTKFU-UHFFFAOYSA-N |