ethyl 4-{[(1-acetylpiperidin-4-yl)(3-methylbutyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[(1-acetylpiperidin-4-yl)(3-methylbutyl)carbamothioyl]amino}benzoate
ethyl 4-{[(1-acetylpiperidin-4-yl)(3-methylbutyl)carbamothioyl]amino}benzoate
Compound characteristics
Compound ID: | K788-4443 |
Compound Name: | ethyl 4-{[(1-acetylpiperidin-4-yl)(3-methylbutyl)carbamothioyl]amino}benzoate |
Molecular Weight: | 419.59 |
Molecular Formula: | C22 H33 N3 O3 S |
Smiles: | CCOC(c1ccc(cc1)NC(N(CCC(C)C)C1CCN(CC1)C(C)=O)=S)=O |
Stereo: | ACHIRAL |
logP: | 4.8916 |
logD: | 4.8916 |
logSw: | -4.3768 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.872 |
InChI Key: | SEGYPJNTVFPYLF-UHFFFAOYSA-N |