N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
Compound ID: | C796-0226 |
Compound Name: | N-[(2,3-dimethoxyphenyl)methyl]-1-[5-(1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
Molecular Weight: | 427.52 |
Molecular Formula: | C21 H25 N5 O3 S |
Smiles: | COc1cccc(CNC(C2CCCN(C2)c2nnc(n3cccc3)s2)=O)c1OC |
Stereo: | RACEMIC MIXTURE |
logP: | 3.0362 |
logD: | 3.0362 |
logSw: | -3.2173 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 70.505 |
InChI Key: | QMDORWDUDYCLLJ-INIZCTEOSA-N |