3-(2,4-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-(2,4-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(2,4-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3617 |
| Compound Name: | 3-(2,4-dimethoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 476.47 |
| Molecular Formula: | C23 H16 N4 O6 S |
| Smiles: | COc1ccc(c(c1)OC)N/C=C(\C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3646 |
| logD: | 4.3644 |
| logSw: | -4.5776 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 107.137 |
| InChI Key: | SBNPYCUNHSAAHB-UHFFFAOYSA-N |