N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F865-0679 |
Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(3-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 542.01 |
Molecular Formula: | C25 H24 Cl N5 O5 S |
Smiles: | Cc1c(cccc1[Cl])NC(CC1CCN(CC1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.0194 |
logD: | 4.0047 |
logSw: | -4.2875 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 102.777 |
InChI Key: | XVDACAKWMRVKMD-UHFFFAOYSA-N |