2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Chemical Structure Depiction of
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 8009-8937 |
| Compound Name: | 2-[(1,3-benzothiazol-2-yl)sulfanyl]-1-[2,2,4-trimethyl-4-(3-methylphenyl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one |
| Molecular Weight: | 472.67 |
| Molecular Formula: | C28 H28 N2 O S2 |
| Smiles: | Cc1cccc(c1)C1(C)CC(C)(C)N(C(CSc2nc3ccccc3s2)=O)c2ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.1569 |
| logD: | 7.1569 |
| logSw: | -5.765 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 22.6066 |
| InChI Key: | KUZMMJDMLDNBDS-NDEPHWFRSA-N |