N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-N~2~-(2-methylpropyl)-N~2~-[(4-nitrophenyl)carbamoyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-N~2~-(2-methylpropyl)-N~2~-[(4-nitrophenyl)carbamoyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-N~2~-(2-methylpropyl)-N~2~-[(4-nitrophenyl)carbamoyl]glycinamide
Compound characteristics
| Compound ID: | V017-2686 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methylfuran-2-yl)methyl]-N~2~-(2-methylpropyl)-N~2~-[(4-nitrophenyl)carbamoyl]glycinamide |
| Molecular Weight: | 522.56 |
| Molecular Formula: | C27 H30 N4 O7 |
| Smiles: | CC(C)CN(CC(N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)=O)C(Nc1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6949 |
| logD: | 4.6948 |
| logSw: | -4.4993 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.714 |
| InChI Key: | NOAGXCDJKMVNGT-UHFFFAOYSA-N |