ethyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y501-0114 |
| Compound Name: | ethyl 2-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 559.75 |
| Molecular Formula: | C31 H33 N3 O3 S2 |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(NC(c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1)=O)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.5866 |
| logD: | 5.773 |
| logSw: | -5.7387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.909 |
| InChI Key: | HXFPWNLEAWXFFA-GOSISDBHSA-N |