N~2~-[(3-cyanophenyl)carbamoyl]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-[(3-cyanophenyl)carbamoyl]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N~2~-[(3-cyanophenyl)carbamoyl]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V001-0616 |
| Compound Name: | N~2~-[(3-cyanophenyl)carbamoyl]-N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C28 H29 F N4 O3 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc(cc1)F)C(CN(CC1CCCO1)C(Nc1cccc(C#N)c1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1741 |
| logD: | 4.1741 |
| logSw: | -4.2471 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.411 |
| InChI Key: | KEKLRKZMINABEQ-RUZDIDTESA-N |