propyl 6-methyl-2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propyl 6-methyl-2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propyl 6-methyl-2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-2107 |
| Compound Name: | propyl 6-methyl-2-[({2-[3-(2-methylpropoxy)phenyl]quinoline-4-carbonyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 615.81 |
| Molecular Formula: | C34 H37 N3 O4 S2 |
| Smiles: | CCCOC(c1c2CCC(C)Cc2sc1NC(NC(c1cc(c2cccc(c2)OCC(C)C)nc2ccccc12)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 9.3062 |
| logD: | 7.0883 |
| logSw: | -6.0266 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.561 |
| InChI Key: | KTMGCXBEZFHKLP-OAQYLSRUSA-N |