ethyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2097 |
| Compound Name: | ethyl 2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 601.79 |
| Molecular Formula: | C33 H35 N3 O4 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(NC(c1cc(c2cccc(c2)OCC(C)C)nc2ccccc12)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 8.8564 |
| logD: | 6.6385 |
| logSw: | -5.9533 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.598 |
| InChI Key: | XYRZEVQLBYKYNL-UHFFFAOYSA-N |