7-(ethylsulfanyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-(ethylsulfanyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one
7-(ethylsulfanyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F236-0085 |
| Compound Name: | 7-(ethylsulfanyl)-3-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H24 N6 O3 S |
| Smiles: | CCSc1ncc2C(N(CC(N3CCN(CC3)c3ccccc3OC)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7513 |
| logD: | 1.751 |
| logSw: | -2.4795 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.712 |
| InChI Key: | RDGVOAQSBIEDFR-UHFFFAOYSA-N |