2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide
Chemical Structure Depiction of
2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide
2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide
Compound characteristics
Compound ID: | G856-1287 |
Compound Name: | 2-({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-phenylacetamide |
Molecular Weight: | 494.49 |
Molecular Formula: | C25 H17 F3 N4 O2 S |
Smiles: | C(C(Nc1ccccc1)=O)SC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)C(F)(F)F)=O |
Stereo: | ACHIRAL |
logP: | 4.7128 |
logD: | 4.7128 |
logSw: | -4.936 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 56.267 |
InChI Key: | KSXDPEKAAVXYMG-UHFFFAOYSA-N |