3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-nitro-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-nitro-2H-1-benzopyran-2-one
3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-nitro-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | K232-0696 |
| Compound Name: | 3-{2-[2-chloro-5-(trifluoromethyl)anilino]-1,3-thiazol-4-yl}-6-nitro-2H-1-benzopyran-2-one |
| Molecular Weight: | 467.81 |
| Molecular Formula: | C19 H9 Cl F3 N3 O4 S |
| Smiles: | C1=C(C(=O)Oc2ccc(cc12)[N+]([O-])=O)c1csc(Nc2cc(ccc2[Cl])C(F)(F)F)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.1718 |
| logD: | 6.1718 |
| logSw: | -6.4661 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.531 |
| InChI Key: | VGHXGYYKKQGIMC-UHFFFAOYSA-N |