6-fluoro-2-[(3-fluorophenyl)imino]-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
6-fluoro-2-[(3-fluorophenyl)imino]-2H-1-benzopyran-3-carbothioamide
6-fluoro-2-[(3-fluorophenyl)imino]-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0068 |
| Compound Name: | 6-fluoro-2-[(3-fluorophenyl)imino]-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 316.33 |
| Molecular Formula: | C16 H10 F2 N2 O S |
| Smiles: | C1=C(/C(=N/c2cccc(c2)F)Oc2ccc(cc12)F)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.2171 |
| logD: | 3.2171 |
| logSw: | -3.4994 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.398 |
| InChI Key: | HXAZYPAWNLXBDK-UHFFFAOYSA-N |