N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-4-methylbenzamide
Chemical Structure Depiction of
N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-4-methylbenzamide
N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-4-methylbenzamide
Compound characteristics
| Compound ID: | V020-1369 |
| Compound Name: | N-(2-[(butan-2-yl)amino]-1-{1-[(4-fluorophenyl)carbamothioyl]piperidin-4-yl}-2-oxoethyl)-4-methylbenzamide |
| Molecular Weight: | 484.64 |
| Molecular Formula: | C26 H33 F N4 O2 S |
| Smiles: | CCC(C)NC(C(C1CCN(CC1)C(Nc1ccc(cc1)F)=S)NC(c1ccc(C)cc1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.887 |
| logD: | 4.887 |
| logSw: | -4.4697 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 59.028 |
| InChI Key: | TYTYIOOXLOQVJX-UHFFFAOYSA-N |