6-chloro-2-[(4-methoxyphenyl)imino]-2H-1-benzopyran-3-carbothioamide
Chemical Structure Depiction of
6-chloro-2-[(4-methoxyphenyl)imino]-2H-1-benzopyran-3-carbothioamide
6-chloro-2-[(4-methoxyphenyl)imino]-2H-1-benzopyran-3-carbothioamide
Compound characteristics
| Compound ID: | C201-0076 |
| Compound Name: | 6-chloro-2-[(4-methoxyphenyl)imino]-2H-1-benzopyran-3-carbothioamide |
| Molecular Weight: | 344.82 |
| Molecular Formula: | C17 H13 Cl N2 O2 S |
| Smiles: | COc1ccc(cc1)/N=C1/C(=Cc2cc(ccc2O1)[Cl])C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.4976 |
| logD: | 3.4976 |
| logSw: | -4.0409 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 42.942 |
| InChI Key: | BKYIWTOZMPKZSA-UHFFFAOYSA-N |