N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-4-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-4-yl)methyl]amino}ethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-4-yl)methyl]amino}ethyl)phenyl]-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V016-5927 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-[3-(2-oxo-2-{[(pyridin-4-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(NCc3ccncc3)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.0445 |
| logD: | 4.0412 |
| logSw: | -4.002 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.333 |
| InChI Key: | AHYBDDAJLHYNEB-UHFFFAOYSA-N |