3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Chemical Structure Depiction of
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y503-4620 |
| Compound Name: | 3-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-{[2-(2,4-difluorophenyl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one |
| Molecular Weight: | 460.89 |
| Molecular Formula: | C21 H15 Cl F2 N4 O2 S |
| Smiles: | C(Cn1cc(cn1)[Cl])N1C(=Nc2ccccc2C1=O)SCC(c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6518 |
| logD: | 3.6518 |
| logSw: | -4.1614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.752 |
| InChI Key: | XVJHZXSPMZMWAO-UHFFFAOYSA-N |