2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Chemical Structure Depiction of
2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole
Compound characteristics
| Compound ID: | F874-0380 |
| Compound Name: | 2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-6-methyl-1,3-benzoxazole |
| Molecular Weight: | 423.89 |
| Molecular Formula: | C19 H19 Cl F N3 O3 S |
| Smiles: | Cc1ccc2c(c1)oc(CN1CCN(CC1)S(c1ccc(c(c1)[Cl])F)(=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.6662 |
| logD: | 3.666 |
| logSw: | -3.8887 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | UPNBDEUMQUVXHR-UHFFFAOYSA-N |