N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 3112-5015 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 468.56 |
| Molecular Formula: | C21 H23 F3 N4 O S2 |
| Smiles: | Cc1cc(C(F)(F)F)nc(n1)SCC(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5884 |
| logD: | 4.5557 |
| logSw: | -5.4225 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.987 |
| InChI Key: | NHDQHVOHBGJOOL-GFCCVEGCSA-N |