2-(ethylsulfanyl)-5-(4-hydroxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(ethylsulfanyl)-5-(4-hydroxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(ethylsulfanyl)-5-(4-hydroxyphenyl)-8,8-dimethyl-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0165 |
| Compound Name: | 2-(ethylsulfanyl)-5-(4-hydroxyphenyl)-8,8-dimethyl-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: | CCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1ccc(cc1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5991 |
| logD: | 0.5247 |
| logSw: | -2.8899 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.239 |
| InChI Key: | PXMHJZZKNSWIAP-OAHLLOKOSA-N |