2-(1,3-benzothiazol-2-yl)-3-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 8013-9437 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C25 H20 N2 O2 S |
| Smiles: | Cc1ccc(COc2ccc(\C=C(/C#N)c3nc4ccccc4s3)cc2OC)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1103 |
| logD: | 6.1103 |
| logSw: | -5.6643 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.688 |
| InChI Key: | RHTUZYVXSPRPNO-UHFFFAOYSA-N |