N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide
Compound characteristics
| Compound ID: | V016-5963 |
| Compound Name: | N-[(4-methylphenyl)methyl]-N-{3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]phenyl}-2H-1,3-benzodioxole-5-carboxamide |
| Molecular Weight: | 456.54 |
| Molecular Formula: | C28 H28 N2 O4 |
| Smiles: | Cc1ccc(CN(C(c2ccc3c(c2)OCO3)=O)c2cccc(CC(N3CCCC3)=O)c2)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9912 |
| logD: | 4.9912 |
| logSw: | -4.7139 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.192 |
| InChI Key: | MZAGFJPEZMIKEA-UHFFFAOYSA-N |