ethyl 4-[(3-{2-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[(3-{2-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]piperazine-1-carboxylate
ethyl 4-[(3-{2-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K786-3930 |
| Compound Name: | ethyl 4-[(3-{2-[(2,6-diethylphenyl)carbamothioyl]hydrazinylidene}-2-oxo-2,3-dihydro-1H-indol-1-yl)methyl]piperazine-1-carboxylate |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C27 H34 N6 O3 S |
| Smiles: | CCc1cccc(CC)c1NC(N/N=C1C(N(CN2CCN(CC2)C(=O)OCC)c2ccccc/12)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 4.8503 |
| logD: | 4.8432 |
| logSw: | -4.4332 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.131 |
| InChI Key: | IIIKRRDPSQMMLQ-UHFFFAOYSA-N |