2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Chemical Structure Depiction of
2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione
Compound characteristics
| Compound ID: | C117-0171 |
| Compound Name: | 2-(ethylsulfanyl)-8,8-dimethyl-5-(thiophen-2-yl)-5,8,9,10-tetrahydropyrimido[4,5-b]quinoline-4,6(3H,7H)-dione |
| Molecular Weight: | 387.52 |
| Molecular Formula: | C19 H21 N3 O2 S2 |
| Smiles: | CCSC1NC(C2C(C3=C(CC(C)(C)CC3=O)NC=2N=1)c1cccs1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9241 |
| logD: | 0.6984 |
| logSw: | -3.289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.64 |
| InChI Key: | MOINVYZUWKEWSJ-AWEZNQCLSA-N |