N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide
Compound characteristics
| Compound ID: | 1000-0401 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-phenylprop-2-enamide |
| Molecular Weight: | 308.4 |
| Molecular Formula: | C18 H16 N2 O S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(/C=C/c1ccccc1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.466 |
| logD: | 3.2925 |
| logSw: | -4.5774 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.887 |
| InChI Key: | QOPVYSMMZFNIDS-UHFFFAOYSA-N |