4-[(benzylsulfanyl)methyl]-2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
Chemical Structure Depiction of
4-[(benzylsulfanyl)methyl]-2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
4-[(benzylsulfanyl)methyl]-2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole
Compound characteristics
| Compound ID: | C351-0210 |
| Compound Name: | 4-[(benzylsulfanyl)methyl]-2-{1-[(2-chloro-6-fluorophenyl)methyl]-1H-pyrrol-2-yl}-4,5-dihydro-1,3-oxazole |
| Molecular Weight: | 414.93 |
| Molecular Formula: | C22 H20 Cl F N2 O S |
| Smiles: | C(c1c(cccc1[Cl])F)n1cccc1C1=NC(CO1)CSCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5447 |
| logD: | 5.5447 |
| logSw: | -6.0308 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 20.2491 |
| InChI Key: | VAOKTRNXMSHKPH-KRWDZBQOSA-N |