2-{[4-(5-fluoro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(5-fluoro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
2-{[4-(5-fluoro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0236 |
| Compound Name: | 2-{[4-(5-fluoro-2-methylbenzene-1-sulfonyl)piperazin-1-yl]methyl}-5-methyl-1,3-benzoxazole |
| Molecular Weight: | 403.47 |
| Molecular Formula: | C20 H22 F N3 O3 S |
| Smiles: | Cc1ccc2c(c1)nc(CN1CCN(CC1)S(c1cc(ccc1C)F)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 3.4947 |
| logD: | 3.4946 |
| logSw: | -3.5796 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | NCZSYQGJJOHEFP-UHFFFAOYSA-N |