ethyl 4-[({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amino]benzoate
ethyl 4-[({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amino]benzoate
Compound characteristics
| Compound ID: | E958-2041 |
| Compound Name: | ethyl 4-[({1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)amino]benzoate |
| Molecular Weight: | 440.57 |
| Molecular Formula: | C22 H28 N6 O2 S |
| Smiles: | CCN1CCN(CC1)c1nnc(n2cccc2CNc2ccc(cc2)C(=O)OCC)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1083 |
| logD: | 3.2512 |
| logSw: | -3.8835 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.879 |
| InChI Key: | NRQJZCOCLQOHDQ-UHFFFAOYSA-N |