2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-fluorophenyl)-6,7,8-trimethoxyquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-fluorophenyl)-6,7,8-trimethoxyquinazolin-4(3H)-one
2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-fluorophenyl)-6,7,8-trimethoxyquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V020-1892 |
| Compound Name: | 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-3-(2-fluorophenyl)-6,7,8-trimethoxyquinazolin-4(3H)-one |
| Molecular Weight: | 514.96 |
| Molecular Formula: | C25 H20 Cl F N2 O5 S |
| Smiles: | COc1cc2C(N(C(=Nc2c(c1OC)OC)SCC(c1ccc(cc1)[Cl])=O)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8273 |
| logD: | 4.8271 |
| logSw: | -4.9294 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.918 |
| InChI Key: | JCGLCRGRXDCPPP-UHFFFAOYSA-N |