5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1853 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(2-methoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 469.56 |
| Molecular Formula: | C23 H27 N5 O4 S |
| Smiles: | CN1C(c2c(nc(c3ccccc3OC)nc2SCC(N2CCCCCC2)=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2702 |
| logD: | 3.2702 |
| logSw: | -3.5689 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.138 |
| InChI Key: | CEGBCDXSFOQTLL-UHFFFAOYSA-N |