3-(2-methyl-3,5-dinitrophenyl)-2-(trifluoromethyl)quinazolin-4(3H)-one
Chemical Structure Depiction of
3-(2-methyl-3,5-dinitrophenyl)-2-(trifluoromethyl)quinazolin-4(3H)-one
3-(2-methyl-3,5-dinitrophenyl)-2-(trifluoromethyl)quinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-5832 |
| Compound Name: | 3-(2-methyl-3,5-dinitrophenyl)-2-(trifluoromethyl)quinazolin-4(3H)-one |
| Molecular Weight: | 394.26 |
| Molecular Formula: | C16 H9 F3 N4 O5 |
| Smiles: | Cc1c(cc(cc1N1C(C(F)(F)F)=Nc2ccccc2C1=O)[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7377 |
| logD: | 2.7227 |
| logSw: | -3.5306 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 91.171 |
| InChI Key: | BSXJXHJCMSJLHD-UHFFFAOYSA-N |