2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
Compound ID: | G859-0014 |
Compound Name: | 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-3-(3-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
Molecular Weight: | 487.6 |
Molecular Formula: | C28 H26 F N3 O2 S |
Smiles: | Cc1ccc(C)c(CSC2=Nc3cc(ccc3C(N2c2cccc(c2)F)=O)C(N2CCCC2)=O)c1 |
Stereo: | ACHIRAL |
logP: | 5.3411 |
logD: | 5.3406 |
logSw: | -5.2581 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 42.174 |
InChI Key: | RYRYYFIBQDCTRP-UHFFFAOYSA-N |