N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-fluorobenzamide
Chemical Structure Depiction of
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-fluorobenzamide
N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-fluorobenzamide
Compound characteristics
| Compound ID: | V009-4307 |
| Compound Name: | N-{2-[(butan-2-yl)amino]-1-[1-(ethylcarbamothioyl)piperidin-4-yl]-2-oxoethyl}-2-fluorobenzamide |
| Molecular Weight: | 422.56 |
| Molecular Formula: | C21 H31 F N4 O2 S |
| Salt: | not_available |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(NCC)=S)NC(c1ccccc1F)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2659 |
| logD: | 3.2658 |
| logSw: | -3.6806 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 60.248 |
| InChI Key: | JBHVZBYEOODYSA-UHFFFAOYSA-N |