N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | D356-0845 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[(3-methylphenyl)methanesulfonyl]piperidine-4-carboxamide |
| Molecular Weight: | 430.52 |
| Molecular Formula: | C22 H26 N2 O5 S |
| Smiles: | Cc1cccc(CS(N2CCC(CC2)C(NCc2ccc3c(c2)OCO3)=O)(=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.8717 |
| logD: | 2.8717 |
| logSw: | -3.2501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.372 |
| InChI Key: | YZCQFWVMSDLHNG-UHFFFAOYSA-N |