5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Chemical Structure Depiction of
5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide
5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Compound characteristics
| Compound ID: | C201-1003 |
| Compound Name: | 5-(hydroxymethyl)-2-imino-8-methyl-N-(4-methylphenyl)-2H-pyrano[2,3-c]pyridine-3-carbothioamide |
| Molecular Weight: | 339.41 |
| Molecular Formula: | C18 H17 N3 O2 S |
| Smiles: | Cc1ccc(cc1)NC(C1=Cc2c(CO)cnc(C)c2OC1=N)=S |
| Stereo: | ACHIRAL |
| logP: | 2.59 |
| logD: | 2.5143 |
| logSw: | -2.7026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.472 |
| InChI Key: | BGAPSQHOQYKFKJ-UHFFFAOYSA-N |