N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V026-9037 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-chlorobenzoyl)-4-(2,4-dimethoxyphenyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 522.99 |
| Molecular Formula: | C28 H27 Cl N2 O6 |
| Smiles: | COc1ccc(C2CN(CC2C(NCc2ccc3c(c2)OCO3)=O)C(c2cccc(c2)[Cl])=O)c(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0301 |
| logD: | 4.0301 |
| logSw: | -4.554 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.551 |
| InChI Key: | XNBNZIOQWVAIGM-UHFFFAOYSA-N |