N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-(1H-tetrazol-1-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-(1H-tetrazol-1-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-(1H-tetrazol-1-yl)benzamide
Compound characteristics
| Compound ID: | Y040-5341 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-bromo-2-(1H-tetrazol-1-yl)benzamide |
| Molecular Weight: | 402.2 |
| Molecular Formula: | C16 H12 Br N5 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc(ccc1n1cnnn1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9747 |
| logD: | 2.9747 |
| logSw: | -3.5642 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.232 |
| InChI Key: | VCSANYLAOJCOPZ-UHFFFAOYSA-N |