N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | Y202-9493 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[5-(propan-2-yl)-4-propyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 417.59 |
| Molecular Formula: | C20 H27 N5 O S2 |
| Smiles: | CCCn1c(C(C)C)nnc1SCC(Nc1c(C#N)c2CCC(C)Cc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5106 |
| logD: | 3.4535 |
| logSw: | -4.264 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.411 |
| InChI Key: | YKGPWSHQRLMSLW-CYBMUJFWSA-N |