N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-1466 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-chlorophenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | C1CN(CCC1C(NCc1ccc2c(c1)OCO2)=O)S(Cc1cccc(c1)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8806 |
| logD: | 2.8806 |
| logSw: | -3.5473 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.372 |
| InChI Key: | MJLJHISSTZUSCS-UHFFFAOYSA-N |