1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)butan-1-one
Chemical Structure Depiction of
1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)butan-1-one
1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)butan-1-one
Compound characteristics
| Compound ID: | V006-4166 |
| Compound Name: | 1-(2-{5-[2-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidin-1-yl)butan-1-one |
| Molecular Weight: | 402.42 |
| Molecular Formula: | C22 H21 F3 N2 O2 |
| Smiles: | CCCC(N1CCCC1c1nc2cc(ccc2o1)c1ccccc1C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1453 |
| logD: | 5.1453 |
| logSw: | -4.9166 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.229 |
| InChI Key: | XKWXDNPTGSXRKZ-SFHVURJKSA-N |