4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]piperazine-1-carboxamide
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]piperazine-1-carboxamide
4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]piperazine-1-carboxamide
Compound characteristics
| Compound ID: | E569-0077 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)methyl]-N-[(5-methyl-1,2-benzoxazol-3-yl)methyl]piperazine-1-carboxamide |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | Cc1ccc2c(c1)c(CNC(N1CCN(CC1)Cc1ccc3c(c1)OCO3)=O)no2 |
| Stereo: | ACHIRAL |
| logP: | 2.958 |
| logD: | 1.3935 |
| logSw: | -3.0902 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.38 |
| InChI Key: | VMPXNUZLVYLPBA-UHFFFAOYSA-N |