N-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-3-bromobenzamide
Chemical Structure Depiction of
N-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-3-bromobenzamide
N-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-3-bromobenzamide
Compound characteristics
| Compound ID: | K784-1329 |
| Compound Name: | N-[(4-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}phenyl)methyl]-3-bromobenzamide |
| Molecular Weight: | 467.32 |
| Molecular Formula: | C23 H19 Br N2 O4 |
| Smiles: | C(c1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)NC(c1cccc(c1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9457 |
| logD: | 3.9455 |
| logSw: | -4.1812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.181 |
| InChI Key: | PNKWZYWFAXWNBK-UHFFFAOYSA-N |