N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[(5-methylfuran-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[(5-methylfuran-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[(5-methylfuran-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V005-1566 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-{[3,5-bis(trifluoromethyl)phenyl]carbamoyl}-N-[(5-methylfuran-2-yl)methyl]-N~2~-[(oxolan-2-yl)methyl]glycinamide |
| Molecular Weight: | 641.57 |
| Molecular Formula: | C30 H29 F6 N3 O6 |
| Smiles: | Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(CN(CC2CCCO2)C(Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7464 |
| logD: | 5.74 |
| logSw: | -5.516 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.715 |
| InChI Key: | XDHAFOIHQWAJKN-HSZRJFAPSA-N |