2-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoline
Chemical Structure Depiction of
2-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoline
2-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoline
Compound characteristics
| Compound ID: | 8019-8869 |
| Compound Name: | 2-({[4-benzyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)quinoline |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C26 H22 N4 O S |
| Smiles: | C(c1ccccc1)n1c(COc2ccccc2)nnc1SCc1ccc2ccccc2n1 |
| Stereo: | ACHIRAL |
| logP: | 5.4809 |
| logD: | 5.4353 |
| logSw: | -6.6641 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 41.271 |
| InChI Key: | IGGFBONHNKLARI-UHFFFAOYSA-N |