5-tert-butyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-tert-butyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-tert-butyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | G373-4135 |
| Compound Name: | 5-tert-butyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 427.56 |
| Molecular Formula: | C23 H29 N3 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCN(CC1)Cc1nc2cc(ccc2o1)C(C)(C)C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.71 |
| logD: | 4.7098 |
| logSw: | -4.397 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | DQSPFBNTQUKGSB-UHFFFAOYSA-N |