N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide
Compound characteristics
| Compound ID: | 8018-2396 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2H-[3,4'-bi-1,2,4-triazole]-5-carboxamide |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C14 H12 N8 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1nc([nH]n1)n1cnnc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.2253 |
| logD: | -1.0434 |
| logSw: | -2.0719 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.116 |
| InChI Key: | KXUXBBQQIKZNON-UHFFFAOYSA-N |