N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | C857-0066 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C20 H21 N5 O3 S |
| Smiles: | C1CN(CCC1C(NCc1ccc2c(c1)OCO2)=O)c1nnc(n2cccc2)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.8258 |
| logD: | 2.8258 |
| logSw: | -3.2127 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.339 |
| InChI Key: | QBGSURCWJYMQNP-UHFFFAOYSA-N |