2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Chemical Structure Depiction of
2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Compound characteristics
| Compound ID: | C200-3355 |
| Compound Name: | 2-[(3,4-dimethoxyphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide |
| Molecular Weight: | 385.44 |
| Molecular Formula: | C19 H19 N3 O4 S |
| Smiles: | Cc1c2c(C=C(/C(=N/c3ccc(c(c3)OC)OC)O2)C(N)=S)c(CO)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.4672 |
| logD: | 1.4671 |
| logSw: | -2.1372 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.173 |
| InChI Key: | SXQMXITVBCZOHI-UHFFFAOYSA-N |