3-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Chemical Structure Depiction of
3-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
3-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0966 |
| Compound Name: | 3-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCN(CC1)Cc1c2ccccc2on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.107 |
| logD: | 4.1064 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.184 |
| InChI Key: | BSWNAEKTCWQZBJ-UHFFFAOYSA-N |