N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-4-methylbenzamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-4-methylbenzamide
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-4-methylbenzamide
Compound characteristics
| Compound ID: | V015-5619 |
| Compound Name: | N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-4-methylbenzamide |
| Molecular Weight: | 418.6 |
| Molecular Formula: | C22 H34 N4 O2 S |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(NCC)=S)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3981 |
| logD: | 3.3981 |
| logSw: | -3.5347 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.248 |
| InChI Key: | CZTZDFLPFNHRFR-UHFFFAOYSA-N |