N-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-4-methylbenzene-1-sulfonamide
N-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K788-1694 |
| Compound Name: | N-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}phenyl)methyl]-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C27 H29 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(NCc1ccc(cc1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4171 |
| logD: | 3.2253 |
| logSw: | -3.7564 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.301 |
| InChI Key: | SIHUPMFYIHHPKY-UHFFFAOYSA-N |