N~2~-[(3-cyanophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N~2~-[(3-cyanophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N~2~-[(3-cyanophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-5707 |
| Compound Name: | N~2~-[(3-cyanophenyl)carbamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 576.72 |
| Molecular Formula: | C31 H36 N4 O5 S |
| Smiles: | Cc1ccc(CN(CCc2ccc(c(c2)OC)OC)C(CN(CC2CCCO2)C(Nc2cccc(C#N)c2)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0766 |
| logD: | 4.0766 |
| logSw: | -4.1456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.65 |
| InChI Key: | HTSKPPKMAPBMMD-AREMUKBSSA-N |