N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V027-1166 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-methoxybenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 524.59 |
| Molecular Formula: | C27 H28 N2 O7 S |
| Smiles: | COc1ccc(cc1)S(N1CC(C(C1)c1ccccc1OC)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7209 |
| logD: | 3.7209 |
| logSw: | -3.9953 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.614 |
| InChI Key: | KDZQQOSBBLXEBF-UHFFFAOYSA-N |