N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide
Chemical Structure Depiction of
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide
Compound characteristics
| Compound ID: | Y203-0090 |
| Compound Name: | N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(2-chloro-5-methylphenoxy)propanamide |
| Molecular Weight: | 431 |
| Molecular Formula: | C23 H27 Cl N2 O2 S |
| Smiles: | CC(C(Nc1c(C#N)c2CCC(Cc2s1)C(C)(C)C)=O)Oc1cc(C)ccc1[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.7006 |
| logD: | 5.2827 |
| logSw: | -6.5245 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.977 |
| InChI Key: | MCSNZOBIVIMKIB-UHFFFAOYSA-N |