3-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Chemical Structure Depiction of
3-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
3-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole
Compound characteristics
| Compound ID: | L269-0938 |
| Compound Name: | 3-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,2-benzoxazole |
| Molecular Weight: | 409.86 |
| Molecular Formula: | C18 H17 Cl F N3 O3 S |
| Smiles: | C1CN(CCN1Cc1c2ccccc2on1)S(c1ccc(c(c1)[Cl])F)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2706 |
| logD: | 3.27 |
| logSw: | -3.4934 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.184 |
| InChI Key: | QHHRYYOQWZDLQD-UHFFFAOYSA-N |