N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-oxo-4H-1-benzopyran-3-yl)prop-2-enamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-oxo-4H-1-benzopyran-3-yl)prop-2-enamide
N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-oxo-4H-1-benzopyran-3-yl)prop-2-enamide
Compound characteristics
| Compound ID: | C679-1965 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-oxo-4H-1-benzopyran-3-yl)prop-2-enamide |
| Molecular Weight: | 373.39 |
| Molecular Formula: | C20 H11 N3 O3 S |
| Smiles: | C(=C(/C#N)C(Nc1nc2ccccc2s1)=O)/C1=COc2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.0014 |
| logD: | 3.4914 |
| logSw: | -4.5281 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.04 |
| InChI Key: | DPHJLRMIRVNWSM-UHFFFAOYSA-N |