2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | V003-1363 |
| Compound Name: | 2-{[(3,4-difluorophenyl)methyl]sulfanyl}-3-(4-nitrophenyl)quinazolin-4(3H)-one |
| Molecular Weight: | 425.41 |
| Molecular Formula: | C21 H13 F2 N3 O3 S |
| Smiles: | C(c1ccc(c(c1)F)F)SC1=Nc2ccccc2C(N1c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3274 |
| logD: | 4.3273 |
| logSw: | -4.5169 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.541 |
| InChI Key: | CXYWNHHWSCCACF-UHFFFAOYSA-N |