2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | L681-0350 |
| Compound Name: | 2-(6-benzyl-2-methyl-5,7-dioxo-2,5,6,7-tetrahydro-4H-pyrazolo[4,3-d]pyrimidin-4-yl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 435.5 |
| Molecular Formula: | C22 H21 N5 O3 S |
| Smiles: | Cn1cc2c(C(N(Cc3ccccc3)C(N2CC(Nc2cccc(c2)SC)=O)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8402 |
| logD: | 2.8402 |
| logSw: | -3.3631 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.863 |
| InChI Key: | PXLBDQRBGXQXAY-UHFFFAOYSA-N |