N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-chlorobenzamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-chlorobenzamide
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-chlorobenzamide
Compound characteristics
| Compound ID: | V004-0313 |
| Compound Name: | N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-chlorobenzamide |
| Molecular Weight: | 439.02 |
| Molecular Formula: | C21 H31 Cl N4 O2 S |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(NCC)=S)NC(c1ccccc1[Cl])=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7382 |
| logD: | 3.738 |
| logSw: | -4.1266 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.248 |
| InChI Key: | ZEIJIDKLOGEYOY-UHFFFAOYSA-N |