N-(2,3-dimethylphenyl)-2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
N-(2,3-dimethylphenyl)-2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | E960-1227 |
| Compound Name: | N-(2,3-dimethylphenyl)-2-({1-ethyl-6-[(3-methoxyphenyl)methyl]-3-methyl-7-oxo-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl}sulfanyl)acetamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | CCn1c2C(N(Cc3cccc(c3)OC)C(=Nc2c(C)n1)SCC(Nc1cccc(C)c1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9396 |
| logD: | 3.9396 |
| logSw: | -4.0933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.433 |
| InChI Key: | OTIGDEHKKASPJH-UHFFFAOYSA-N |