2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0414 |
| Compound Name: | 2-{[4-(2-ethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | CCc1ccccc1S(N1CCN(CC1)Cc1nc2ccc(C)cc2o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8159 |
| logD: | 3.8158 |
| logSw: | -3.773 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | IUMYTMWEAXCIIS-UHFFFAOYSA-N |