N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
Compound ID: | E017-0275 |
Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
Molecular Weight: | 445.54 |
Molecular Formula: | C21 H27 N5 O4 S |
Smiles: | COc1cccc(CNC(C2CCN(CC2)c2nnc(N3CCCC3=O)s2)=O)c1OC |
Stereo: | ACHIRAL |
logP: | 2.1718 |
logD: | 2.1718 |
logSw: | -2.6014 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 83.402 |
InChI Key: | PTRMBPXQQOHJOC-UHFFFAOYSA-N |