2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}prop-2-enenitrile
Compound characteristics
| Compound ID: | 8013-9442 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-{4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl}prop-2-enenitrile |
| Molecular Weight: | 446.95 |
| Molecular Formula: | C25 H19 Cl N2 O2 S |
| Smiles: | CCOc1cc(\C=C(/C#N)c2nc3ccccc3s2)ccc1OCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.4272 |
| logD: | 6.4272 |
| logSw: | -6.5101 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 41.268 |
| InChI Key: | MRGWHQPOTSKRHE-UHFFFAOYSA-N |