methyl 1-{[(4-{[(2,5-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(4-{[(2,5-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(4-{[(2,5-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4114 |
| Compound Name: | methyl 1-{[(4-{[(2,5-dimethoxyphenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 402.43 |
| Molecular Formula: | C17 H18 N6 O4 S |
| Smiles: | COC(c1ccn(CSc2nncn2/N=C/c2cc(ccc2OC)OC)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5555 |
| logD: | 1.5464 |
| logSw: | -2.3412 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 83.779 |
| InChI Key: | VZTOXCDUFZAPIZ-UHFFFAOYSA-N |