propyl 2-{[2-(4-bromophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propyl 2-{[2-(4-bromophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propyl 2-{[2-(4-bromophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3365-7209 |
| Compound Name: | propyl 2-{[2-(4-bromophenyl)quinoline-4-carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 563.51 |
| Molecular Formula: | C29 H27 Br N2 O3 S |
| Smiles: | CCCOC(c1c2CCCCCc2sc1NC(c1cc(c2ccc(cc2)[Br])nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 8.5157 |
| logD: | 6.5764 |
| logSw: | -5.969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.483 |
| InChI Key: | SRDASRGRQAOCFI-UHFFFAOYSA-N |