N-benzyl-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-ethylacetamide
Chemical Structure Depiction of
N-benzyl-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-ethylacetamide
N-benzyl-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-ethylacetamide
Compound characteristics
| Compound ID: | G020-0069 |
| Compound Name: | N-benzyl-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)-N-ethylacetamide |
| Molecular Weight: | 496.03 |
| Molecular Formula: | C25 H26 Cl N5 O2 S |
| Smiles: | CCN(Cc1ccccc1)C(CSC1=Nc2cn(CC)nc2C(N1Cc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.983 |
| logD: | 3.983 |
| logSw: | -4.3102 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.59 |
| InChI Key: | MMTCLOONWJSFOT-UHFFFAOYSA-N |