methyl 1-({[4-({[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-({[4-({[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
methyl 1-({[4-({[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4108 |
| Compound Name: | methyl 1-({[4-({[3-(4-chlorophenyl)-1H-pyrazol-4-yl]methylidene}amino)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 442.88 |
| Molecular Formula: | C18 H15 Cl N8 O2 S |
| Smiles: | COC(c1ccn(CSc2nncn2/N=C/c2c[nH]nc2c2ccc(cc2)[Cl])n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0379 |
| logD: | 2.0313 |
| logSw: | -3.0494 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.795 |
| InChI Key: | LYVVNDVKHNXCAI-UHFFFAOYSA-N |