8,8-dimethyl-5-(3-phenoxyphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Chemical Structure Depiction of
8,8-dimethyl-5-(3-phenoxyphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
8,8-dimethyl-5-(3-phenoxyphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione
Compound characteristics
| Compound ID: | 5069-0241 |
| Compound Name: | 8,8-dimethyl-5-(3-phenoxyphenyl)-2-sulfanylidene-2,3,5,8,9,10-hexahydropyrimido[4,5-b]quinoline-4,6(1H,7H)-dione |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | CC1(C)CC2=C(C(C3=C(N2)NC(NC3=O)=S)c2cccc(c2)Oc2ccccc2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2751 |
| logD: | 4.1331 |
| logSw: | -4.4986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 65.701 |
| InChI Key: | LJOHDXCOSBONGV-LJQANCHMSA-N |