N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | E822-0067 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(4-bromophenyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 400.23 |
| Molecular Formula: | C18 H14 Br N3 O3 |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cc(c2ccc(cc2)[Br])n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2045 |
| logD: | 4.2043 |
| logSw: | -4.4212 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.257 |
| InChI Key: | FKROPKKKYYYTBV-UHFFFAOYSA-N |