1-(7-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Chemical Structure Depiction of
1-(7-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
1-(7-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one
Compound characteristics
| Compound ID: | Y021-2450 |
| Compound Name: | 1-(7-acetyl-2,2,4,6-tetramethyl-3,4-dihydroquinolin-1(2H)-yl)-2-[(pyrimidin-2-yl)sulfanyl]ethan-1-one |
| Molecular Weight: | 383.51 |
| Molecular Formula: | C21 H25 N3 O2 S |
| Smiles: | CC1CC(C)(C)N(C(CSc2ncccn2)=O)c2cc(C(C)=O)c(C)cc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0871 |
| logD: | 3.0871 |
| logSw: | -3.3186 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.781 |
| InChI Key: | FBIBEVBLNMXCJI-CQSZACIVSA-N |