N-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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-(3-chloro-4-methylphenyl)-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: | E960-1326 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-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(Nc1ccc(C)c(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3003 |
| logD: | 4.3002 |
| logSw: | -4.4531 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.606 |
| InChI Key: | AZFQELLJTJZRSB-UHFFFAOYSA-N |