2-[(5-chloro-2-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Chemical Structure Depiction of
2-[(5-chloro-2-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
2-[(5-chloro-2-methylphenyl)imino]-5-(hydroxymethyl)-8-methyl-2H-pyrano[2,3-c]pyridine-3-carbothioamide
Compound characteristics
| Compound ID: | C200-3333 |
| Compound Name: | 2-[(5-chloro-2-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/N=C1/C(=Cc2c(CO)cnc(C)c2O1)C(N)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.7457 |
| logD: | 2.7457 |
| logSw: | -3.1088 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 61.214 |
| InChI Key: | NBMPOLLNTCQUDY-UHFFFAOYSA-N |