N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenylcyclopentane-1-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenylcyclopentane-1-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenylcyclopentane-1-carboxamide
Compound characteristics
| Compound ID: | J029-0119 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-phenylcyclopentane-1-carboxamide |
| Molecular Weight: | 350.48 |
| Molecular Formula: | C21 H22 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C1(CCCC1)c1ccccc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.897 |
| logD: | 2.2812 |
| logSw: | -4.911 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.387 |
| InChI Key: | SZXVROSDYVRNFA-UHFFFAOYSA-N |