N-(4-bromo-2-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide
N-(4-bromo-2-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | Y030-3150 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 334.17 |
| Molecular Formula: | C15 H12 Br N O3 |
| Smiles: | Cc1cc(ccc1NC(c1ccc2c(c1)OCO2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.9597 |
| logD: | 3.9588 |
| logSw: | -4.0776 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.747 |
| InChI Key: | LROHUGVNWHZAAG-UHFFFAOYSA-N |