2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
Chemical Structure Depiction of
2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide
Compound characteristics
| Compound ID: | E960-1344 |
| Compound Name: | 2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-[3-(methylsulfanyl)phenyl]acetamide |
| Molecular Weight: | 485.65 |
| Molecular Formula: | C22 H23 N5 O2 S3 |
| Smiles: | CCn1c2C(N(Cc3cccs3)C(=Nc2c(C)n1)SCC(Nc1cccc(c1)SC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3711 |
| logD: | 3.3711 |
| logSw: | -3.6633 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.606 |
| InChI Key: | MLCBGKZUENZBLX-UHFFFAOYSA-N |