2-(ethylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(ethylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(ethylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
Compound ID: | C117-0158 |
Compound Name: | 2-(ethylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
Molecular Weight: | 399.49 |
Molecular Formula: | C21 H22 F N3 O2 S |
Smiles: | CCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc(cc1)F)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 3.2479 |
logD: | 1.1735 |
logSw: | -3.4488 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 57.622 |
InChI Key: | ZHEMLQJZRVXGTE-OAHLLOKOSA-N |