N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethylpiperidine-1-sulfonyl)benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethylpiperidine-1-sulfonyl)benzamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethylpiperidine-1-sulfonyl)benzamide
Compound characteristics
| Compound ID: | 3330-0361 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-(3,5-dimethylpiperidine-1-sulfonyl)benzamide |
| Molecular Weight: | 457.61 |
| Molecular Formula: | C23 H27 N3 O3 S2 |
| Smiles: | CC1CC(C)CN(C1)S(c1ccc(cc1)C(Nc1c(C#N)c2CCCCc2s1)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.7337 |
| logD: | 1.6229 |
| logSw: | -4.5556 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.679 |
| InChI Key: | HVMYCKCWKPODHK-UHFFFAOYSA-N |