2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 3535-0005 |
| Compound Name: | 2-[(1,3-benzoxazol-2-yl)sulfanyl]-1-[4-(4-bromophenyl)-2,2,4-trimethyl-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 521.48 |
| Molecular Formula: | C27 H25 Br N2 O2 S |
| Smiles: | CC1(CC(C)(C)N(C(CSc2nc3ccccc3o2)=O)c2ccccc12)c1ccc(cc1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1022 |
| logD: | 7.1022 |
| logSw: | -5.7325 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 30.1885 |
| InChI Key: | BXDHYZPNKIAVBM-MHZLTWQESA-N |