methyl 3-(2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-(2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)thiophene-2-carboxylate
methyl 3-(2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | E961-1167 |
| Compound Name: | methyl 3-(2-{1-ethyl-6-[(4-fluorophenyl)methyl]-3-methyl-5,7-dioxo-1,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl}acetamido)thiophene-2-carboxylate |
| Molecular Weight: | 499.52 |
| Molecular Formula: | C23 H22 F N5 O5 S |
| Smiles: | CCn1c2C(N(Cc3ccc(cc3)F)C(N(CC(Nc3ccsc3C(=O)OC)=O)c2c(C)n1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3681 |
| logD: | 2.3386 |
| logSw: | -2.804 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.987 |
| InChI Key: | YSGCKDLSCMBGIJ-UHFFFAOYSA-N |