N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | P076-0783 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-1-[(4-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C25 H21 N3 O3 |
| Smiles: | Cc1ccc(Cn2cc(cc2C(Nc2ccc3c(c2)OCO3)=O)c2ccncc2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6844 |
| logD: | 4.6795 |
| logSw: | -4.1913 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.084 |
| InChI Key: | ITCPLRAPJWBMMO-UHFFFAOYSA-N |