4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(pyridin-2-yl)methyl]benzamide
4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C432-0300 |
| Compound Name: | 4-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 448.91 |
| Molecular Formula: | C24 H21 Cl N4 O3 |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1ccc(cc1)C(NCc1ccccn1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.6248 |
| logD: | 3.6247 |
| logSw: | -4.1605 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.033 |
| InChI Key: | PXJFWHVNGWEUQX-UHFFFAOYSA-N |