2-{[(4-fluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(4-fluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(4-fluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V026-1877 |
| Compound Name: | 2-{[(4-fluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C21 H14 F N3 O3 S |
| Smiles: | C(c1ccc(cc1)F)SC1=Nc2ccccc2C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8535 |
| logD: | 3.8534 |
| logSw: | -4.193 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | INQKVLYAWIHFCF-UHFFFAOYSA-N |