3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3852 |
| Compound Name: | 3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C20 H15 Cl N4 O4 S |
| Smiles: | COc1cc(c(cc1N/C=C(/C#N)c1nc(cs1)c1ccc(cc1)[N+]([O-])=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5565 |
| logD: | 5.5514 |
| logSw: | -6.1369 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.302 |
| InChI Key: | FKZDTACNQVADKV-UHFFFAOYSA-N |