N-(3-chloro-2-methylphenyl)-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3-chloro-2-methylphenyl)-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(3-chloro-2-methylphenyl)-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | C200-4181 |
| Compound Name: | N-(3-chloro-2-methylphenyl)-2-({6-[(4-chlorophenyl)methyl]-2-ethyl-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 502.42 |
| Molecular Formula: | C23 H21 Cl2 N5 O2 S |
| Smiles: | CCn1cc2c(C(N(Cc3ccc(cc3)[Cl])C(=N2)SCC(Nc2cccc(c2C)[Cl])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.5567 |
| logD: | 4.5565 |
| logSw: | -4.4391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.362 |
| InChI Key: | YKXDFZRMNUBFIY-UHFFFAOYSA-N |