5-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0242 |
| Compound Name: | 5-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | Cc1cccc(c1)S(N1CCN(CC1)Cc1nc2cc(C)ccc2o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5226 |
| logD: | 3.5224 |
| logSw: | -3.6346 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | RCBXYQWTBBRGMC-UHFFFAOYSA-N |