2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]phenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]phenyl}prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]phenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 8013-9441 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]phenyl}prop-2-enenitrile |
| Molecular Weight: | 402.9 |
| Molecular Formula: | C23 H15 Cl N2 O S |
| Smiles: | C(c1ccc(cc1)[Cl])Oc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.5564 |
| logD: | 6.5564 |
| logSw: | -6.8017 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 33.971 |
| InChI Key: | FHHQPUWDCKYXEO-UHFFFAOYSA-N |