methyl 2-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3366-9332 |
| Compound Name: | methyl 2-{[2-(3-bromophenyl)quinoline-4-carbonyl]amino}-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 577.54 |
| Molecular Formula: | C30 H29 Br N2 O3 S |
| Smiles: | CC(C)(C)C1CCc2c(C(=O)OC)c(NC(c3cc(c4cccc(c4)[Br])nc4ccccc34)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.5743 |
| logD: | 6.635 |
| logSw: | -6.0493 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.278 |
| InChI Key: | AISHDCYSDXCSTH-GOSISDBHSA-N |