N-(2-bromo-4-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(2-bromo-4-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y204-6835 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 334.17 |
| Molecular Formula: | C15 H12 Br N O3 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(c1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9229 |
| logD: | 3.9228 |
| logSw: | -3.9971 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.747 |
| InChI Key: | BJMIKAGPSUVQKO-UHFFFAOYSA-N |