2-{[2-ethyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)propanamide
Chemical Structure Depiction of
2-{[2-ethyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)propanamide
2-{[2-ethyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)propanamide
Compound characteristics
| Compound ID: | C200-9623 |
| Compound Name: | 2-{[2-ethyl-6-(2-methylpropyl)-7-oxo-6,7-dihydro-2H-pyrazolo[4,3-d]pyrimidin-5-yl]sulfanyl}-N-(3-methylphenyl)propanamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C21 H27 N5 O2 S |
| Smiles: | CCn1cc2c(C(N(CC(C)C)C(=N2)SC(C)C(Nc2cccc(C)c2)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6476 |
| logD: | 3.6476 |
| logSw: | -3.6798 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.545 |
| InChI Key: | VMDDDTNENKPQBQ-HNNXBMFYSA-N |