2-[(3-chloro-4-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Chemical Structure Depiction of
2-[(3-chloro-4-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
2-[(3-chloro-4-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Compound characteristics
| Compound ID: | C200-3109 |
| Compound Name: | 2-[(3-chloro-4-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide |
| Molecular Weight: | 373.86 |
| Molecular Formula: | C18 H16 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1[Cl])/N=C1/C(=Cc2c(CO)cnc(C)c2O1)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0644 |
| logD: | 3.0644 |
| logSw: | -3.1289 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.912 |
| InChI Key: | XTHVADKQZZVTNI-UHFFFAOYSA-N |