5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1872 |
| Compound Name: | 5-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-7-(3-fluorophenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 491.54 |
| Molecular Formula: | C25 H22 F N5 O3 S |
| Smiles: | CN1C(c2c(nc(c3cccc(c3)F)nc2SCC(N2CCCc3ccccc23)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1078 |
| logD: | 5.1078 |
| logSw: | -5.0205 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.841 |
| InChI Key: | LGSARXFBFWKWLP-UHFFFAOYSA-N |