ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | C200-4098 |
| Compound Name: | ethyl 2-[2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 526.01 |
| Molecular Formula: | C25 H24 Cl N5 O4 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)[Cl])C(=N2)SCC(Nc2ccccc2C(=O)OCC)=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.0176 |
| logD: | 4.0092 |
| logSw: | -4.5365 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.115 |
| InChI Key: | DDCOKBGKQXGBER-UHFFFAOYSA-N |