3-({[4-(2-methoxyethyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[4-(2-methoxyethyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[4-(2-methoxyethyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V008-1731 |
| Compound Name: | 3-({[4-(2-methoxyethyl)-5-(2-phenylquinolin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 477.59 |
| Molecular Formula: | C28 H23 N5 O S |
| Salt: | not_available |
| Smiles: | COCCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.7917 |
| logD: | 5.7908 |
| logSw: | -5.9433 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.677 |
| InChI Key: | KNLXJOHYSALGGF-UHFFFAOYSA-N |