1-{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Chemical Structure Depiction of
1-{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one
1-{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one
Compound characteristics
| Compound ID: | V010-4786 |
| Compound Name: | 1-{2-[5-(3,4-difluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidin-1-yl}-2-(phenylsulfanyl)ethan-1-one |
| Molecular Weight: | 450.51 |
| Molecular Formula: | C25 H20 F2 N2 O2 S |
| Smiles: | C1CC(c2nc3cc(ccc3o2)c2ccc(c(c2)F)F)N(C1)C(CSc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9061 |
| logD: | 5.9061 |
| logSw: | -5.9719 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.958 |
| InChI Key: | LFJHYPPSYLTFQR-QFIPXVFZSA-N |