methyl 3-methoxy-4-[({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-methoxy-4-[({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 3-methoxy-4-[({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V011-5195 |
| Compound Name: | methyl 3-methoxy-4-[({4-[(oxolan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 566.68 |
| Molecular Formula: | C32 H30 N4 O4 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2CC2CCCO2)c(c1)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.6666 |
| logD: | 6.6656 |
| logSw: | -5.9061 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.487 |
| InChI Key: | FGEJOFKQNRJCIF-XMMPIXPASA-N |