6-chloro-2-[(3-fluoro-4-methylphenyl)imino]-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
6-chloro-2-[(3-fluoro-4-methylphenyl)imino]-2H-1-benzopyran-3-carbothioamide
6-chloro-2-[(3-fluoro-4-methylphenyl)imino]-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0067 |
| Compound Name: | 6-chloro-2-[(3-fluoro-4-methylphenyl)imino]-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 346.81 |
| Molecular Formula: | C17 H12 Cl F N2 O S |
| Smiles: | Cc1ccc(cc1F)/N=C1/C(=Cc2cc(ccc2O1)[Cl])C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 4.3562 |
| logD: | 4.3562 |
| logSw: | -4.6794 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.398 |
| InChI Key: | ZFRJHYYXOVVITB-UHFFFAOYSA-N |