methyl 1-({[4-({[4-(4-ethylphenyl)-1H-pyrazol-3-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-({[4-({[4-(4-ethylphenyl)-1H-pyrazol-3-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
methyl 1-({[4-({[4-(4-ethylphenyl)-1H-pyrazol-3-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4167 |
| Compound Name: | methyl 1-({[4-({[4-(4-ethylphenyl)-1H-pyrazol-3-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C20 H20 N8 O2 S |
| Smiles: | CCc1ccc(cc1)c1c[nH]nc1/C=N/n1cnnc1SCn1ccc(C(=O)OC)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9895 |
| logD: | 2.9847 |
| logSw: | -3.4125 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.29 |
| InChI Key: | BHDFQQOSLUAZPB-UHFFFAOYSA-N |