methyl 1-{[(4-{[(4-bromo-5-ethylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-{[(4-{[(4-bromo-5-ethylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
methyl 1-{[(4-{[(4-bromo-5-ethylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4173 |
| Compound Name: | methyl 1-{[(4-{[(4-bromo-5-ethylthiophen-2-yl)methylidene]amino}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 455.35 |
| Molecular Formula: | C15 H15 Br N6 O2 S2 |
| Smiles: | CCc1c(cc(/C=N/n2cnnc2SCn2ccc(C(=O)OC)n2)s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 2.7798 |
| logD: | 2.7792 |
| logSw: | -3.0406 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 69.623 |
| InChI Key: | LQXIIYIYXYKOPO-UHFFFAOYSA-N |