2-(butylsulfanyl)-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-(butylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(butylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C318-0087 |
| Compound Name: | 2-(butylsulfanyl)-5-(4-fluorophenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 427.54 |
| Molecular Formula: | C23 H26 F N3 O2 S |
| Smiles: | CCCCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3521 |
| logD: | 2.2777 |
| logSw: | -4.2936 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.622 |
| InChI Key: | ZRZQVYAFRNBQQO-QGZVFWFLSA-N |