N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamide
Compound characteristics
| Compound ID: | Y205-3853 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{4-[(4-methylphenyl)methyl]piperazin-1-yl}acetamide |
| Molecular Weight: | 422.59 |
| Molecular Formula: | C24 H30 N4 O S |
| Smiles: | CC1CCc2c(C#N)c(NC(CN3CCN(CC3)Cc3ccc(C)cc3)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.492 |
| logD: | 4.492 |
| logSw: | -4.3139 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.432 |
| InChI Key: | BAQORJCETJQAPH-GOSISDBHSA-N |