N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorobenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorobenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorobenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | V027-1758 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(4-chlorobenzene-1-sulfonyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 529.01 |
| Molecular Formula: | C26 H25 Cl N2 O6 S |
| Smiles: | COc1ccccc1C1CN(CC1C(NCc1ccc2c(c1)OCO2)=O)S(c1ccc(cc1)[Cl])(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.3333 |
| logD: | 4.3333 |
| logSw: | -4.6063 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.07 |
| InChI Key: | CTOSKPODNSYDJN-UHFFFAOYSA-N |