N-(2-bromo-4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
N-(2-bromo-4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D731-0614 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 360.21 |
| Molecular Formula: | C17 H14 Br N O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(C1Cc2ccccc2C(=O)O1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8676 |
| logD: | 3.8675 |
| logSw: | -3.9547 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.456 |
| InChI Key: | KRWIUTUZNALXJK-HNNXBMFYSA-N |