6-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
6-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
6-methyl-2-{[4-(3-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0409 |
| Compound Name: | 6-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)Cc1nc2ccc(C)cc2o1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.595 |
| logD: | 3.5948 |
| logSw: | -3.6267 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | LRKKDVAXFJDGPP-UHFFFAOYSA-N |