N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V016-5954 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-3-yl)methyl]amino}ethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C30 H27 N3 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN(C(c2ccc3c(c2)OCO3)=O)c2cccc(CC(NCc3cccnc3)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1734 |
| logD: | 4.1709 |
| logSw: | -4.059 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.423 |
| InChI Key: | AQWZIRCDHYFSIQ-UHFFFAOYSA-N |