N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide
Compound characteristics
| Compound ID: | Y500-8781 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-3-[4-methoxy-3-(phenoxymethyl)phenyl]prop-2-enamide |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C26 H24 N2 O3 S |
| Smiles: | COc1ccc(/C=C/C(Nc2c(C#N)c3CCCCc3s2)=O)cc1COc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8603 |
| logD: | 4.6868 |
| logSw: | -5.5225 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.745 |
| InChI Key: | UUYYRRKVNBNWDD-UHFFFAOYSA-N |