N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | P076-0611 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(2-methylphenyl)methyl]-4-(pyridin-4-yl)-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C26 H23 N3 O3 |
| Smiles: | Cc1ccccc1Cn1cc(cc1C(NCc1ccc2c(c1)OCO2)=O)c1ccncc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8677 |
| logD: | 4.8628 |
| logSw: | -4.4152 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.406 |
| InChI Key: | UAHYMLHWSNITIP-UHFFFAOYSA-N |