2-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
Chemical Structure Depiction of
2-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
2-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide
Compound characteristics
| Compound ID: | D276-0312 |
| Compound Name: | 2-({2-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-2-oxoethyl}sulfanyl)-4,6-dimethyl-N-(3-methylphenyl)pyridine-3-carboxamide |
| Molecular Weight: | 490.65 |
| Molecular Formula: | C26 H26 N4 O2 S2 |
| Smiles: | Cc1cccc(c1)NC(c1c(C)cc(C)nc1SCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5343 |
| logD: | 4.5132 |
| logSw: | -5.2596 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.532 |
| InChI Key: | SEAKWQOFJJIRHY-UHFFFAOYSA-N |