N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(piperidin-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-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G015-1106 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | C1CCN(CC1)c1nnc(n2cccc2C(NCc2ccc3c(c2)OCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8439 |
| logD: | 3.8439 |
| logSw: | -3.9117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.402 |
| InChI Key: | RKFOYZSPAJDPSG-UHFFFAOYSA-N |