2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Chemical Structure Depiction of
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-phenylquinazolin-4(3H)-one
Compound characteristics
| Compound ID: | 8010-0123 |
| Compound Name: | 2-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-3-phenylquinazolin-4(3H)-one |
| Molecular Weight: | 443.4 |
| Molecular Formula: | C21 H12 F3 N3 O3 S |
| Smiles: | c1ccc(cc1)N1C(=Nc2ccccc2C1=O)Sc1ccc(cc1[N+]([O-])=O)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.2153 |
| logD: | 5.2153 |
| logSw: | -5.5998 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.24 |
| InChI Key: | USXIDEFKYXYBEE-UHFFFAOYSA-N |