N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 8008-3310 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 361.49 |
| Molecular Formula: | C16 H19 N5 O S2 |
| Smiles: | CCC(C(Nc1c(C#N)c2CCCCc2s1)=O)Sc1nncn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9085 |
| logD: | 1.4288 |
| logSw: | -3.3162 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.866 |
| InChI Key: | VHNVRQSIYHWIDA-LBPRGKRZSA-N |