methyl 1-[({4-[({5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
methyl 1-[({4-[({5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
methyl 1-[({4-[({5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | Y503-4157 |
| Compound Name: | methyl 1-[({4-[({5-[(3-chloro-4-fluorophenoxy)methyl]furan-2-yl}methylidene)amino]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 490.9 |
| Molecular Formula: | C20 H16 Cl F N6 O4 S |
| Smiles: | COC(c1ccn(CSc2nncn2/N=C\c2ccc(COc3ccc(c(c3)[Cl])F)o2)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9437 |
| logD: | 2.9426 |
| logSw: | -3.4115 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.844 |
| InChI Key: | FDNXIRWIJIZFKH-UHFFFAOYSA-N |