3-chloro-1-(4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
Chemical Structure Depiction of
3-chloro-1-(4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
3-chloro-1-(4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one
Compound characteristics
Compound ID: | V008-7277 |
Compound Name: | 3-chloro-1-(4-{3-[4-(3-fluorophenyl)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]propanoyl}-2-methylpiperazin-1-yl)-2,2-dimethylpropan-1-one |
Molecular Weight: | 506.08 |
Molecular Formula: | C26 H33 Cl F N3 O2 S |
Salt: | not_available |
Smiles: | CC1CN(CCN1C(C(C)(C)C[Cl])=O)C(CCN1CCc2c(ccs2)C1c1cccc(c1)F)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 4.5979 |
logD: | 4.1959 |
logSw: | -4.3647 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 36.446 |
InChI Key: | XQLZNCRILYCCFH-UHFFFAOYSA-N |