methyl 1-{[(4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4109 |
| Compound Name: | methyl 1-{[(4-{[(2-chloro-6-fluorophenyl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 394.81 |
| Molecular Formula: | C15 H12 Cl F N6 O2 S |
| Smiles: | COC(c1ccn(CSc2nncn2/N=C/c2c(cccc2[Cl])F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7887 |
| logD: | 1.7885 |
| logSw: | -2.6407 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 68.605 |
| InChI Key: | GPNAWRSTNOLFFD-UHFFFAOYSA-N |