N-(3,5-dimethylphenyl)-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
N-(3,5-dimethylphenyl)-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide
Compound characteristics
Compound ID: | C857-1856 |
Compound Name: | N-(3,5-dimethylphenyl)-1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-carboxamide |
Molecular Weight: | 409.55 |
Molecular Formula: | C22 H27 N5 O S |
Smiles: | Cc1cc(C)cc(c1)NC(C1CCN(CC1)c1nnc(n2c(C)ccc2C)s1)=O |
Stereo: | ACHIRAL |
logP: | 4.0532 |
logD: | 4.0532 |
logSw: | -3.9128 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 52.805 |
InChI Key: | WYEXTUIEOVIUMU-UHFFFAOYSA-N |