2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
Chemical Structure Depiction of
2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 3448-2120 |
| Compound Name: | 2-(1,3-benzothiazol-2-yl)-3-(4-chloro-3-nitrophenyl)prop-2-enenitrile |
| Molecular Weight: | 341.77 |
| Molecular Formula: | C16 H8 Cl N3 O2 S |
| Smiles: | C(=C(/C#N)c1nc2ccccc2s1)/c1ccc(c(c1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.7515 |
| logD: | 4.7515 |
| logSw: | -5.2461 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.824 |
| InChI Key: | TVVHSTBWVFTPQY-UHFFFAOYSA-N |