N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-cyanophenyl)carbamoyl]-N~2~-[(oxolan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-cyanophenyl)carbamoyl]-N~2~-[(oxolan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-cyanophenyl)carbamoyl]-N~2~-[(oxolan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V012-5016 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-[(4-cyanophenyl)carbamoyl]-N~2~-[(oxolan-2-yl)methyl]-N-[(thiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 532.62 |
| Molecular Formula: | C28 H28 N4 O5 S |
| Smiles: | C1CC(CN(CC(N(Cc2ccc3c(c2)OCO3)Cc2cccs2)=O)C(Nc2ccc(C#N)cc2)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3551 |
| logD: | 3.3551 |
| logSw: | -3.6311 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.527 |
| InChI Key: | IQVGKDWWNYDKFF-HSZRJFAPSA-N |