3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-sulfanylquinazolin-4(3H)-one
3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-3957 |
| Compound Name: | 3-[3-(4-chloro-3-methyl-1H-pyrazol-1-yl)propyl]-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 334.82 |
| Molecular Formula: | C15 H15 Cl N4 O S |
| Smiles: | Cc1c(cn(CCCN2C(=Nc3ccccc3C2=O)S)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.9913 |
| logD: | -2.0233 |
| logSw: | -2.9666 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.636 |
| InChI Key: | CTYJOLUGPPMBSK-UHFFFAOYSA-N |