2-(benzylsulfanyl)-8,8-dimethyl-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(benzylsulfanyl)-8,8-dimethyl-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(benzylsulfanyl)-8,8-dimethyl-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0193 |
| Compound Name: | 2-(benzylsulfanyl)-8,8-dimethyl-5-(pyridin-4-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C25 H24 N4 O2 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)N=C(NC3=O)SCc2ccccc2)c2ccncc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.732 |
| logD: | 0.9122 |
| logSw: | -2.9894 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.779 |
| InChI Key: | RYBNXJIXLMVAKE-LJQANCHMSA-N |