ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate
ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate
Compound characteristics
Compound ID: | G856-1296 |
Compound Name: | ethyl ({4-oxo-3-[3-(trifluoromethyl)phenyl]-4,5-dihydro-3H-pyrimido[5,4-b]indol-2-yl}sulfanyl)acetate |
Molecular Weight: | 447.43 |
Molecular Formula: | C21 H16 F3 N3 O3 S |
Smiles: | CCOC(CSC1=Nc2c3ccccc3[nH]c2C(N1c1cccc(c1)C(F)(F)F)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.1157 |
logD: | 4.1157 |
logSw: | -4.2346 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.548 |
InChI Key: | GRCUSBGMVRSRES-UHFFFAOYSA-N |