5-(4-ethoxyphenyl)-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
5-(4-ethoxyphenyl)-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
5-(4-ethoxyphenyl)-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0033 |
| Compound Name: | 5-(4-ethoxyphenyl)-2-(ethylsulfanyl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | CCOc1ccc(cc1)C1C2=C(CCCC2=O)NC2=C1C(NC(=N2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9823 |
| logD: | 1.294 |
| logSw: | -3.5425 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.746 |
| InChI Key: | CBXJXILURHSSSV-MRXNPFEDSA-N |