N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E958-0006 |
| Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | COc1cccc(CNC(C2CCN(CC2)c2nnc(n3cccc3)s2)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0536 |
| logD: | 3.0536 |
| logSw: | -3.1663 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.572 |
| InChI Key: | DOQSXWVIDAWALQ-UHFFFAOYSA-N |