(1RS)-7,7-dimethyl-1-[(2-{5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidine-1-sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
Chemical Structure Depiction of
(1RS)-7,7-dimethyl-1-[(2-{5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidine-1-sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
(1RS)-7,7-dimethyl-1-[(2-{5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidine-1-sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one
Compound characteristics
| Compound ID: | V009-9353 |
| Compound Name: | (1RS)-7,7-dimethyl-1-[(2-{5-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-2-yl}pyrrolidine-1-sulfonyl)methyl]bicyclo[2.2.1]heptan-2-one |
| Molecular Weight: | 546.61 |
| Molecular Formula: | C28 H29 F3 N2 O4 S |
| Smiles: | CC1(C)C2CC[C@]1(CS(N1CCCC1c1nc3cc(ccc3o1)c1cccc(c1)C(F)(F)F)(=O)=O)C(C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.282 |
| logD: | 6.282 |
| logSw: | -5.6226 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.312 |
| InChI Key: | VXBSSEKYANLNFQ-QEYPREHFSA-N |