diethyl 4,4'-[methylenebis(1H-pyrazole-1,4-diylcarbamothioylazanediyl)]dibenzoate
Chemical Structure Depiction of
diethyl 4,4'-[methylenebis(1H-pyrazole-1,4-diylcarbamothioylazanediyl)]dibenzoate
diethyl 4,4'-[methylenebis(1H-pyrazole-1,4-diylcarbamothioylazanediyl)]dibenzoate
Compound characteristics
| Compound ID: | Y509-5651 |
| Compound Name: | diethyl 4,4'-[methylenebis(1H-pyrazole-1,4-diylcarbamothioylazanediyl)]dibenzoate |
| Molecular Weight: | 592.7 |
| Molecular Formula: | C27 H28 N8 O4 S2 |
| Smiles: | CCOC(c1ccc(cc1)NC(Nc1cnn(Cn2cc(cn2)NC(Nc2ccc(cc2)C(=O)OCC)=S)c1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0171 |
| logD: | 5.0171 |
| logSw: | -4.3681 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 110.096 |
| InChI Key: | PDOZOPCVEOUWSY-UHFFFAOYSA-N |