1-(2H-1,3-benzodioxole-5-carbonyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
1-(2H-1,3-benzodioxole-5-carbonyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
1-(2H-1,3-benzodioxole-5-carbonyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V026-9979 |
| Compound Name: | 1-(2H-1,3-benzodioxole-5-carbonyl)-4-(2,3-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 506.53 |
| Molecular Formula: | C28 H27 F N2 O6 |
| Smiles: | COc1cccc(C2CN(CC2C(NCc2ccc(cc2)F)=O)C(c2ccc3c(c2)OCO3)=O)c1OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.173 |
| logD: | 3.1729 |
| logSw: | -3.3482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.724 |
| InChI Key: | KFUDTFLSYYULSS-UHFFFAOYSA-N |