ethyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | F236-0865 |
| Compound Name: | ethyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C19 H21 N5 O4 S2 |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(CN1C=Nc2c(cnc(n2)SCC)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7999 |
| logD: | 0.846 |
| logSw: | -3.0101 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.427 |
| InChI Key: | NXVXEOUZZNCNRI-UHFFFAOYSA-N |