5-tert-butyl-2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Chemical Structure Depiction of
5-tert-butyl-2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
5-tert-butyl-2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole
Compound characteristics
| Compound ID: | G373-4123 |
| Compound Name: | 5-tert-butyl-2-{[4-(3-chloro-4-fluorobenzene-1-sulfonyl)piperazin-1-yl]methyl}-1,3-benzoxazole |
| Molecular Weight: | 465.97 |
| Molecular Formula: | C22 H25 Cl F N3 O3 S |
| Smiles: | CC(C)(C)c1ccc2c(c1)nc(CN1CCN(CC1)S(c1ccc(c(c1)[Cl])F)(=O)=O)o2 |
| Stereo: | ACHIRAL |
| logP: | 4.7812 |
| logD: | 4.781 |
| logSw: | -4.8864 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.237 |
| InChI Key: | XVSNOLFMUSZQQJ-UHFFFAOYSA-N |