methyl 1-{[(4-{[(1,3-dimethyl-1H-pyrazol-5-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(4-{[(1,3-dimethyl-1H-pyrazol-5-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(4-{[(1,3-dimethyl-1H-pyrazol-5-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4168 |
| Compound Name: | methyl 1-{[(4-{[(1,3-dimethyl-1H-pyrazol-5-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 360.4 |
| Molecular Formula: | C14 H16 N8 O2 S |
| Smiles: | Cc1cc(/C=N/n2cnnc2SCn2ccc(C(=O)OC)n2)n(C)n1 |
| Stereo: | ACHIRAL |
| logP: | -0.2778 |
| logD: | -0.2832 |
| logSw: | -1.7717 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 82.408 |
| InChI Key: | BTNAWOUZSFGTBZ-UHFFFAOYSA-N |