4-(5-{[(3-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Chemical Structure Depiction of
4-(5-{[(3-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
4-(5-{[(3-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline
Compound characteristics
Compound ID: | V011-8320 |
Compound Name: | 4-(5-{[(3-iodophenyl)methyl]sulfanyl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazol-3-yl)-2-phenylquinoline |
Molecular Weight: | 604.51 |
Molecular Formula: | C29 H25 I N4 O S |
Salt: | not_available |
Smiles: | C1CC(Cn2c(c3cc(c4ccccc4)nc4ccccc34)nnc2SCc2cccc(c2)I)OC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 7.3053 |
logD: | 7.3043 |
logSw: | -6.4986 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 40.683 |
InChI Key: | OUIBSTLSGVQSAU-HSZRJFAPSA-N |