5-(hydroxymethyl)-8-methyl-2-[(4-methylphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Chemical Structure Depiction of
5-(hydroxymethyl)-8-methyl-2-[(4-methylphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbothioamide
5-(hydroxymethyl)-8-methyl-2-[(4-methylphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Compound characteristics
| Compound ID: | C200-3117 |
| Compound Name: | 5-(hydroxymethyl)-8-methyl-2-[(4-methylphenyl)imino]-2H-pyrano[2,3-c]pyridine-3-carbothioamide |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)/N=C1/C(=Cc2c(CO)cnc(C)c2O1)C(N)=S |
| Stereo: | ACHIRAL |
| logP: | 2.053 |
| logD: | 2.0529 |
| logSw: | -2.2405 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.912 |
| InChI Key: | ZRFAYJVACVCDOS-UHFFFAOYSA-N |