N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-(methylsulfanyl)benzamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-(methylsulfanyl)benzamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-(methylsulfanyl)benzamide
Compound characteristics
| Compound ID: | Y205-0080 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-chloro-5-(methylsulfanyl)benzamide |
| Molecular Weight: | 419.01 |
| Molecular Formula: | C21 H23 Cl N2 O S2 |
| Smiles: | CC(C)(C)C1CCc2c(C#N)c(NC(c3cc(ccc3[Cl])SC)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4109 |
| logD: | 3.4659 |
| logSw: | -6.4639 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.101 |
| InChI Key: | QXMSFVGIYXUYRN-GFCCVEGCSA-N |