methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V011-6455 |
| Compound Name: | methyl 4-[({4-[(furan-2-yl)methyl]-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C31 H24 N4 O3 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2Cc2ccco2)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.0124 |
| logD: | 7.0114 |
| logSw: | -5.939 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.951 |
| InChI Key: | WWVTWJKBDNVEHP-UHFFFAOYSA-N |