methyl 3-[({4-(prop-2-en-1-yl)-5-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({4-(prop-2-en-1-yl)-5-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 3-[({4-(prop-2-en-1-yl)-5-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V005-2464 |
| Compound Name: | methyl 3-[({4-(prop-2-en-1-yl)-5-[2-(3,4,5-trimethoxyphenyl)quinolin-4-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 582.68 |
| Molecular Formula: | C32 H30 N4 O5 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3cc(c4cc(c(c(c4)OC)OC)OC)nc4ccccc34)n2CC=C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4048 |
| logD: | 6.0008 |
| logSw: | -5.9808 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.43 |
| InChI Key: | KJWQZOOEZVTYQA-UHFFFAOYSA-N |