3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4585 |
| Compound Name: | 3-[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C24 H25 N7 O2 S |
| Smiles: | Cc1cc(C)n(CCCN2C(=Nc3ccccc3C2=O)SCC2=CC(Nc3cc(C)nn23)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 1.5695 |
| logD: | 1.5393 |
| logSw: | -2.676 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.669 |
| InChI Key: | AEDKMLJDIWMXCV-UHFFFAOYSA-N |