3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F236-1020 |
| Compound Name: | 3-[1-(azepan-1-yl)-1-oxobutan-2-yl]-7-(ethylsulfanyl)pyrimido[4,5-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 375.49 |
| Molecular Formula: | C18 H25 N5 O2 S |
| Smiles: | CCC(C(N1CCCCCC1)=O)N1C=Nc2c(cnc(n2)SCC)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5706 |
| logD: | 2.5706 |
| logSw: | -2.6446 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.072 |
| InChI Key: | PFKSJNCZXGZQMI-AWEZNQCLSA-N |