2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | G858-0465 |
| Compound Name: | 2-{[(4-ethenylphenyl)methyl]sulfanyl}-3-(4-fluorophenyl)-7-(pyrrolidine-1-carbonyl)quinazolin-4(3H)-one |
| Molecular Weight: | 485.58 |
| Molecular Formula: | C28 H24 F N3 O2 S |
| Smiles: | C=Cc1ccc(CSC2=Nc3cc(ccc3C(N2c2ccc(cc2)F)=O)C(N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.384 |
| logD: | 4.3837 |
| logSw: | -4.2927 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.174 |
| InChI Key: | WLIQEPZWJHFSCX-UHFFFAOYSA-N |