3-(5-chloro-2-methoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Chemical Structure Depiction of
3-(5-chloro-2-methoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
3-(5-chloro-2-methoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile
Compound characteristics
| Compound ID: | 2542-3881 |
| Compound Name: | 3-(5-chloro-2-methoxyanilino)-2-[4-(6-nitro-2-oxo-2H-1-benzopyran-3-yl)-1,3-thiazol-2-yl]prop-2-enenitrile |
| Molecular Weight: | 480.88 |
| Molecular Formula: | C22 H13 Cl N4 O5 S |
| Smiles: | COc1ccc(cc1N/C=C(\C#N)c1nc(cs1)C1=Cc2cc(ccc2OC1=O)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9963 |
| logD: | 4.9953 |
| logSw: | -5.2342 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.594 |
| InChI Key: | QWVGQUMJHWJWRL-UHFFFAOYSA-N |