5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-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-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | G786-1850 |
| Compound Name: | 5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-7-(4-ethoxyphenyl)-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C24 H29 N5 O4 S |
| Smiles: | CCOc1ccc(cc1)c1nc2c(C(N(C)C(N2C)=O)=O)c(n1)SCC(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6805 |
| logD: | 4.6805 |
| logSw: | -4.3344 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.631 |
| InChI Key: | HIINDUGZKKDMDZ-UHFFFAOYSA-N |