{2-[(difluoromethyl)sulfanyl]phenyl}(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone
Chemical Structure Depiction of
{2-[(difluoromethyl)sulfanyl]phenyl}(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone
{2-[(difluoromethyl)sulfanyl]phenyl}(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone
Compound characteristics
| Compound ID: | V011-9090 |
| Compound Name: | {2-[(difluoromethyl)sulfanyl]phenyl}(6-methoxy-1-{5-[2-(trifluoromethyl)phenyl]furan-2-yl}-1,3,4,9-tetrahydro-2H-pyrido[3,4-b]indol-2-yl)methanone |
| Molecular Weight: | 598.59 |
| Molecular Formula: | C31 H23 F5 N2 O3 S |
| Smiles: | COc1ccc2c(c1)c1CCN(C(c1[nH]2)c1ccc(c2ccccc2C(F)(F)F)o1)C(c1ccccc1SC(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.6123 |
| logD: | 7.6123 |
| logSw: | -5.8364 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.015 |
| InChI Key: | JOENVHKZFWGYLU-NDEPHWFRSA-N |