3-{[4-(3,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Chemical Structure Depiction of
3-{[4-(3,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
3-{[4-(3,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0975 |
| Compound Name: | 3-{[4-(3,5-dimethylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole |
| Molecular Weight: | 385.48 |
| Molecular Formula: | C20 H23 N3 O3 S |
| Smiles: | Cc1cc(C)cc(c1)S(N1CCN(CC1)Cc1c2ccccc2on1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5138 |
| logD: | 3.5132 |
| logSw: | -3.8138 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.184 |
| InChI Key: | BVNJXORYWHVUQQ-UHFFFAOYSA-N |