3-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
3-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F236-1473 |
| Compound Name: | 3-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C20 H21 N5 O2 S |
| Smiles: | CCSc1ncc2C(N(C=Nc2n1)C(C)C(N1CCCc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5921 |
| logD: | 2.5921 |
| logSw: | -2.9952 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.821 |
| InChI Key: | OKPUBAAHFGROIB-ZDUSSCGKSA-N |