6-nitro-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
6-nitro-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K231-0679 |
| Compound Name: | 6-nitro-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 434.35 |
| Molecular Formula: | C18 H9 F3 N4 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1nnc(Nc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1663 |
| logD: | 5.1663 |
| logSw: | -5.6373 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.727 |
| InChI Key: | DBHUUJYPSRWIKO-UHFFFAOYSA-N |