methyl 4-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Chemical Structure Depiction of
methyl 4-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
methyl 4-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate
Compound characteristics
| Compound ID: | V011-6423 |
| Compound Name: | methyl 4-({[5-(2-phenylquinolin-4-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzoate |
| Molecular Weight: | 492.6 |
| Molecular Formula: | C29 H24 N4 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1ccc(CSc2nnc(c3cc(c4ccccc4)nc4ccccc34)n2CC=C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.669 |
| logD: | 6.668 |
| logSw: | -5.9233 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.452 |
| InChI Key: | YUPACXLGMMCXGJ-UHFFFAOYSA-N |