3-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Chemical Structure Depiction of
3-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
3-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Compound characteristics
| Compound ID: | V011-6410 |
| Compound Name: | 3-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C28 H21 N5 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2cc(c3ccccc3)nc3ccccc23)nnc1SCc1cccc(C#N)c1 |
| Stereo: | ACHIRAL |
| logP: | 6.4303 |
| logD: | 6.4293 |
| logSw: | -6.7417 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 49.335 |
| InChI Key: | BQUSDVDXACGXIW-UHFFFAOYSA-N |