1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one
Compound characteristics
Compound ID: | 4112-0938 |
Compound Name: | 1-{2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrrol-3-yl}-2-[(2-methyl-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-yl)sulfanyl]ethan-1-one |
Molecular Weight: | 501.59 |
Molecular Formula: | C25 H22 F3 N3 O S2 |
Smiles: | Cc1nc(c2c3CCCc3sc2n1)SCC(c1cc(C)n(c2cccc(c2)C(F)(F)F)c1C)=O |
Stereo: | ACHIRAL |
logP: | 6.4272 |
logD: | 6.427 |
logSw: | -6.0074 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 35.585 |
InChI Key: | RBRRCAOZICRZAR-UHFFFAOYSA-N |