N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide
Compound characteristics
| Compound ID: | L531-0534 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-(2,5-dimethyl-1H-pyrrol-1-yl)pyridin-2-yl]benzamide |
| Molecular Weight: | 425.49 |
| Molecular Formula: | C26 H23 N3 O3 |
| Smiles: | Cc1ccc(C)n1c1cccnc1c1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.803 |
| logD: | 3.7998 |
| logSw: | -3.9543 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.902 |
| InChI Key: | XNINELCQQGIMSJ-UHFFFAOYSA-N |