N-[(3-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
N-[(3-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide
Compound characteristics
Compound ID: | C857-2085 |
Compound Name: | N-[(3-chlorophenyl)methyl]-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-3-carboxamide |
Molecular Weight: | 429.97 |
Molecular Formula: | C21 H24 Cl N5 O S |
Smiles: | Cc1ccc(C)n1c1nnc(N2CCCC(C2)C(NCc2cccc(c2)[Cl])=O)s1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.729 |
logD: | 3.729 |
logSw: | -4.0628 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 54.06 |
InChI Key: | JPXRBFOPQRCMBA-KRWDZBQOSA-N |