1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Chemical Structure Depiction of
1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
Compound characteristics
| Compound ID: | 8016-9108 |
| Compound Name: | 1-(6-methoxy-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl)-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one |
| Molecular Weight: | 504.67 |
| Molecular Formula: | C27 H28 N4 O2 S2 |
| Smiles: | CC1CC(C)(C)N(C(CSc2nnc(c3cccs3)n2c2ccccc2)=O)c2ccc(cc12)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4974 |
| logD: | 5.497 |
| logSw: | -5.3894 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.104 |
| InChI Key: | UIMBYKUOYLJZJG-GOSISDBHSA-N |