N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-chloro-4-methoxy-N-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-chloro-4-methoxy-N-methylbenzene-1-sulfonamide
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-chloro-4-methoxy-N-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y050-0117 |
| Compound Name: | N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-oxoethyl)-3-chloro-4-methoxy-N-methylbenzene-1-sulfonamide |
| Molecular Weight: | 495.98 |
| Molecular Formula: | C22 H26 Cl N3 O6 S |
| Smiles: | CN(CC(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)S(c1ccc(c(c1)[Cl])OC)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0477 |
| logD: | 1.8562 |
| logSw: | -2.8866 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 77.481 |
| InChI Key: | ONGKKMARGJFBLZ-UHFFFAOYSA-N |