N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide
Compound characteristics
| Compound ID: | Y503-0972 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methylbenzamide |
| Molecular Weight: | 310.42 |
| Molecular Formula: | C18 H18 N2 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(c3ccc(C)cc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5345 |
| logD: | 1.8286 |
| logSw: | -4.3831 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.101 |
| InChI Key: | OETRRMLMHIEMRO-GFCCVEGCSA-N |