N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-phenylethyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-phenylethyl)-4-methylbenzene-1-sulfonamide
N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-phenylethyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | D030-1123 |
| Compound Name: | N-(2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-2-phenylethyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(NCC(c1ccccc1)N1CCN(CC1)Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4158 |
| logD: | 3.9174 |
| logSw: | -4.1368 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.642 |
| InChI Key: | XVMIBNNNJRSMHZ-VWLOTQADSA-N |