2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 8003-6435 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-[4-(dimethylamino)phenyl]prop-2-enenitrile |
| Molecular Weight: | 305.4 |
| Molecular Formula: | C18 H15 N3 S |
| Smiles: | CN(C)c1ccc(\C=C(/C#N)c2nc3ccccc3s2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6374 |
| logD: | 4.6373 |
| logSw: | -4.583 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 29.5483 |
| InChI Key: | KEPVWOGMRMBPGI-UHFFFAOYSA-N |