6-nitro-3-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
6-nitro-3-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one
6-nitro-3-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 1926-2349 |
| Compound Name: | 6-nitro-3-{2-[3-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 433.36 |
| Molecular Formula: | C19 H10 F3 N3 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(Nc2cccc(c2)C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.7307 |
| logD: | 5.7307 |
| logSw: | -6.1028 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.229 |
| InChI Key: | ULCRKURVLSGUOF-UHFFFAOYSA-N |