2-(1,3-benzothiazol-2-yl)-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 8013-9436 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-{4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 382.48 |
| Molecular Formula: | C24 H18 N2 O S |
| Smiles: | Cc1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4s3)cc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.3851 |
| logD: | 6.3851 |
| logSw: | -5.8234 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.971 |
| InChI Key: | FCIHMSAIVJTKHL-UHFFFAOYSA-N |