N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V003-3958 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methylbenzoyl)-4-phenylpyrrolidine-3-carboxamide |
| Molecular Weight: | 442.51 |
| Molecular Formula: | C27 H26 N2 O4 |
| Smiles: | Cc1ccc(cc1)C(N1CC(C(C1)c1ccccc1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8427 |
| logD: | 3.8427 |
| logSw: | -3.9317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.377 |
| InChI Key: | CMWHGBRRAVYGOF-UHFFFAOYSA-N |