5-methyl-2-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-methyl-2-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-methyl-2-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0241 |
| Compound Name: | 5-methyl-2-{[4-(2,4,5-trimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(CN1CCN(CC1)S(c1cc(C)c(C)cc1C)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.4302 |
| logD: | 4.43 |
| logSw: | -4.2353 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | RTOFBOMESQYYGU-UHFFFAOYSA-N |