3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-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-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4621 |
| Compound Name: | 3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[(2-methyl-5-oxo-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-yl)methyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 467.94 |
| Molecular Formula: | C21 H18 Cl N7 O2 S |
| Smiles: | Cc1cc2NC(C=C(CSC3=Nc4ccccc4C(N3CCn3cc(cn3)[Cl])=O)n2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8508 |
| logD: | 1.8206 |
| logSw: | -3.1216 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.439 |
| InChI Key: | FAOAXXLADAXAPL-UHFFFAOYSA-N |