6-bromo-N-(2-methyl-4-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
6-bromo-N-(2-methyl-4-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
6-bromo-N-(2-methyl-4-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 3772-6219 |
| Compound Name: | 6-bromo-N-(2-methyl-4-nitrophenyl)-2-oxo-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 403.19 |
| Molecular Formula: | C17 H11 Br N2 O5 |
| Smiles: | Cc1cc(ccc1NC(C1=Cc2cc(ccc2OC1=O)[Br])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.7911 |
| logD: | 3.0387 |
| logSw: | -4.1404 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.935 |
| InChI Key: | PIUKWKHHJAWLAW-UHFFFAOYSA-N |