N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide
Compound characteristics
| Compound ID: | C432-0043 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)benzamide |
| Molecular Weight: | 457.49 |
| Molecular Formula: | C26 H23 N3 O5 |
| Smiles: | CC12CC(c3ccccc3O2)NC(N1c1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7915 |
| logD: | 3.7915 |
| logSw: | -4.0684 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.606 |
| InChI Key: | RGOJSVCGPCHVOH-UHFFFAOYSA-N |