2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methylquinazolin-4(3H)-one
2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-2745 |
| Compound Name: | 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-methylquinazolin-4(3H)-one |
| Molecular Weight: | 426.33 |
| Molecular Formula: | C16 H9 F3 N4 O5 S |
| Smiles: | CN1C(=Nc2ccccc2C1=O)Sc1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2724 |
| logD: | 3.2724 |
| logSw: | -3.9145 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.969 |
| InChI Key: | VCFHYLUJOWPCGG-UHFFFAOYSA-N |