2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Chemical Structure Depiction of
2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Compound characteristics
Compound ID: | G856-1153 |
Compound Name: | 2-{[3-(4-fluorophenyl)-4-oxo-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide |
Molecular Weight: | 528.48 |
Molecular Formula: | C25 H16 F4 N4 O3 S |
Smiles: | C(C(Nc1ccc(cc1)OC(F)(F)F)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1ccc(cc1)F)=O |
Stereo: | ACHIRAL |
logP: | 5.2682 |
logD: | 5.2682 |
logSw: | -5.6951 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 62.204 |
InChI Key: | PFYVNBOHVHPOBI-UHFFFAOYSA-N |