3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Chemical Structure Depiction of
3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0910 |
| Compound Name: | 3-{[4-(4-tert-butylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C22 H27 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)S(N1CCN(CC1)Cc1c2ccccc2on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5691 |
| logD: | 4.5685 |
| logSw: | -4.2216 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.184 |
| InChI Key: | ROSGPFHLFBLMMD-UHFFFAOYSA-N |