7-(ethylsulfanyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one
Chemical Structure Depiction of
7-(ethylsulfanyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one
7-(ethylsulfanyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one
Compound characteristics
| Compound ID: | F236-0095 |
| Compound Name: | 7-(ethylsulfanyl)-3-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}pyrimido[4,5-d]pyrimidin-4(3H)-one |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C20 H21 F N6 O2 S |
| Smiles: | CCSc1ncc2C(N(CC(N3CCN(CC3)c3ccccc3F)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9291 |
| logD: | 1.9291 |
| logSw: | -2.5439 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 64.081 |
| InChI Key: | DBRLDKDXFBUZHD-UHFFFAOYSA-N |