3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3857 |
| Compound Name: | 3-(4-chloro-2,5-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 510.91 |
| Molecular Formula: | C23 H15 Cl N4 O6 S |
| Smiles: | COc1cc(c(cc1N/C=C(\C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.0322 |
| logD: | 5.024 |
| logSw: | -5.3524 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.224 |
| InChI Key: | XECITOFKVDIVKE-UHFFFAOYSA-N |