methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate
methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate
Compound characteristics
| Compound ID: | K256-0200 |
| Compound Name: | methyl 2-{[(butan-2-yl)carbamothioyl]amino}pyridine-3-carboxylate |
| Molecular Weight: | 267.35 |
| Molecular Formula: | C12 H17 N3 O2 S |
| Smiles: | CCC(C)NC(Nc1c(cccn1)C(=O)OC)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3113 |
| logD: | 2.3077 |
| logSw: | -2.9775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.958 |
| InChI Key: | KMFBKKCPLKXIMM-QMMMGPOBSA-N |