2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Chemical Structure Depiction of
2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one
Compound characteristics
| Compound ID: | 3456-1983 |
| Compound Name: | 2-{[4-(prop-2-en-1-yl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(2,2,4-trimethyl-4-phenyl-3,4-dihydroquinolin-1(2H)-yl)ethan-1-one |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C30 H31 N5 O S |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nnc(c3ccncc3)n2CC=C)=O)c2ccccc12)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2902 |
| logD: | 5.2888 |
| logSw: | -5.2964 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.206 |
| InChI Key: | DMYCYXPYRNMSNV-PMERELPUSA-N |