N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V003-5550 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2,4-dimethoxyphenyl)-1-(4-fluorobenzoyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 506.53 |
| Molecular Formula: | C28 H27 F N2 O6 |
| Smiles: | COc1ccc(C2CN(CC2C(NCc2ccc3c(c2)OCO3)=O)C(c2ccc(cc2)F)=O)c(c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4805 |
| logD: | 3.4805 |
| logSw: | -3.7083 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.551 |
| InChI Key: | XFWWBUMDXROYSA-UHFFFAOYSA-N |