2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 1804-0141 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(3-bromo-4-methoxyphenyl)prop-2-enenitrile |
| Molecular Weight: | 371.25 |
| Molecular Formula: | C17 H11 Br N2 O S |
| Smiles: | COc1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9023 |
| logD: | 4.9023 |
| logSw: | -4.8443 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 34.374 |
| InChI Key: | JCULUKOLJXSNEL-UHFFFAOYSA-N |