3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y504-9112 |
| Compound Name: | 3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 306.77 |
| Molecular Formula: | C13 H11 Cl N4 O S |
| Smiles: | C(Cn1cc(cn1)[Cl])N1C(=Nc2ccccc2C1=O)S |
| Stereo: | ACHIRAL |
| logP: | 1.6842 |
| logD: | -2.3304 |
| logSw: | -2.8328 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.283 |
| InChI Key: | OHYNNFQGVICVSI-UHFFFAOYSA-N |