3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Chemical Structure Depiction of
3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0942 |
| Compound Name: | 3-{[4-(2,4-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | Cc1ccc(c(C)c1)S(N1CCN(CC1)Cc1c2ccccc2on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6174 |
| logD: | 3.6168 |
| logSw: | -3.7636 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.184 |
| InChI Key: | JDRWUCIQSDPJSE-UHFFFAOYSA-N |