ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-1478 |
| Compound Name: | ethyl 2-({[2-(4-chlorophenyl)quinoline-4-carbonyl]carbamothioyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 564.12 |
| Molecular Formula: | C29 H26 Cl N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(NC(c1cc(c2ccc(cc2)[Cl])nc2ccccc12)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 8.1498 |
| logD: | 5.9319 |
| logSw: | -6.5302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.768 |
| InChI Key: | ULPJRBSQCCNTIZ-MRXNPFEDSA-N |