3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-sulfanylquinazolin-4(3H)-one
Chemical Structure Depiction of
3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-sulfanylquinazolin-4(3H)-one
3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-sulfanylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | Y500-4191 |
| Compound Name: | 3-[3-nitro-5-(2,2,2-trifluoroethoxy)phenyl]-2-sulfanylquinazolin-4(3H)-one |
| Molecular Weight: | 397.33 |
| Molecular Formula: | C16 H10 F3 N3 O4 S |
| Smiles: | C(C(F)(F)F)Oc1cc(cc(c1)N1C(=Nc2ccccc2C1=O)S)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.1575 |
| logD: | -2.3042 |
| logSw: | -3.6955 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.818 |
| InChI Key: | FEUOUEZNSMYBNY-UHFFFAOYSA-N |