N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G015-0688 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(4-ethylpiperazin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H24 N6 O3 S |
| Smiles: | CCN1CCN(CC1)c1nnc(n2cccc2C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0068 |
| logD: | 2.1496 |
| logSw: | -3.2717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.939 |
| InChI Key: | OTPHWRKMACMEBT-UHFFFAOYSA-N |