2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(propan-2-yl)phenol
Chemical Structure Depiction of
2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(propan-2-yl)phenol
2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(propan-2-yl)phenol
Compound characteristics
| Compound ID: | 0727-0007 |
| Compound Name: | 2-{[4-(4-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-4-(propan-2-yl)phenol |
| Molecular Weight: | 388.53 |
| Molecular Formula: | C21 H28 N2 O3 S |
| Smiles: | CC(C)c1ccc(c(CN2CCN(CC2)S(c2ccc(C)cc2)(=O)=O)c1)O |
| Stereo: | ACHIRAL |
| logP: | 4.0846 |
| logD: | 3.9206 |
| logSw: | -3.7416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.038 |
| InChI Key: | IYJLDWAHRRCHFK-UHFFFAOYSA-N |