3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2432-4296 |
| Compound Name: | 3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 389.35 |
| Molecular Formula: | C18 H10 F3 N3 O2 S |
| Smiles: | C1=C(C(=O)Oc2ccccc12)c1nnc(Nc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.2013 |
| logD: | 5.2013 |
| logSw: | -5.5395 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.346 |
| InChI Key: | NTEAINFMPXOGJL-UHFFFAOYSA-N |