5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Chemical Structure Depiction of
5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Compound characteristics
| Compound ID: | 6404-0132 |
| Compound Name: | 5-{3-methoxy-4-[(propan-2-yl)oxy]phenyl}-8,8-dimethyl-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | CC(C)Oc1ccc(cc1OC)C1C2=C(CC(C)(C)CC2=O)NC2=C1C(NC(N2)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.012 |
| logD: | 2.87 |
| logSw: | -3.4939 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.473 |
| InChI Key: | ATAYTQWUDDSQBQ-QGZVFWFLSA-N |