N~3~-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-N-(1,3-thiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-N-(1,3-thiazol-2-yl)-beta-alaninamide
N~3~-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-N-(1,3-thiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y040-8884 |
| Compound Name: | N~3~-{[(3,4-dimethyl-2-oxo-2H-1-benzopyran-7-yl)oxy]acetyl}-N-(1,3-thiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 401.44 |
| Molecular Formula: | C19 H19 N3 O5 S |
| Smiles: | CC1=C(C)c2ccc(cc2OC1=O)OCC(NCCC(Nc1nccs1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3659 |
| logD: | 1.3648 |
| logSw: | -2.4972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.328 |
| InChI Key: | NIHVGGLBYDRATB-UHFFFAOYSA-N |