7-(3-methoxyphenyl)-1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
7-(3-methoxyphenyl)-1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
7-(3-methoxyphenyl)-1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1857 |
| Compound Name: | 7-(3-methoxyphenyl)-1,3-dimethyl-5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}pyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 441.51 |
| Molecular Formula: | C21 H23 N5 O4 S |
| Smiles: | CN1C(c2c(nc(c3cccc(c3)OC)nc2SCC(N2CCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6571 |
| logD: | 3.657 |
| logSw: | -4.1214 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.086 |
| InChI Key: | HDYLKGQEESGPHS-UHFFFAOYSA-N |