N-[(2-chlorophenyl)methyl]-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-[(2-chlorophenyl)methyl]-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1320 |
| Compound Name: | N-[(2-chlorophenyl)methyl]-2-({1-ethyl-3-methyl-7-oxo-6-[(thiophen-2-yl)methyl]-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 488.03 |
| Molecular Formula: | C22 H22 Cl N5 O2 S2 |
| Smiles: | CCn1c2C(N(Cc3cccs3)C(=Nc2c(C)n1)SCC(NCc1ccccc1[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3734 |
| logD: | 3.3734 |
| logSw: | -3.4346 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.928 |
| InChI Key: | LSZOWWUOSKXIRS-UHFFFAOYSA-N |