4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-N-(4-methylphenyl)-4-oxobutanamide
Chemical Structure Depiction of
4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-N-(4-methylphenyl)-4-oxobutanamide
4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-N-(4-methylphenyl)-4-oxobutanamide
Compound characteristics
| Compound ID: | 0400-0014 |
| Compound Name: | 4-{2-[(6-bromo-4-oxo-4H-1-benzopyran-3-yl)methylidene]hydrazinyl}-N-(4-methylphenyl)-4-oxobutanamide |
| Molecular Weight: | 456.29 |
| Molecular Formula: | C21 H18 Br N3 O4 |
| Smiles: | Cc1ccc(cc1)NC(CCC(N/N=C/C1=COc2ccc(cc2C1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4511 |
| logD: | 3.4435 |
| logSw: | -3.7501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.383 |
| InChI Key: | PNEOPKPYDQRXAH-UHFFFAOYSA-N |