methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F236-0868 |
| Compound Name: | methyl 2-{2-[7-(ethylsulfanyl)-4-oxopyrimido[4,5-d]pyrimidin-3(4H)-yl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 459.54 |
| Molecular Formula: | C20 H21 N5 O4 S2 |
| Smiles: | CCSc1ncc2C(N(CC(Nc3c(C(=O)OC)c4CCCCc4s3)=O)C=Nc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8752 |
| logD: | 0.9621 |
| logSw: | -3.1898 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.768 |
| InChI Key: | NGANOFJCBWLUPB-UHFFFAOYSA-N |