3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | C326-0139 |
| Compound Name: | 3-(8-chloro-2-methyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl)-N-[(thiophen-2-yl)methyl]benzamide |
| Molecular Weight: | 453.95 |
| Molecular Formula: | C23 H20 Cl N3 O3 S |
| Smiles: | CC12CC(c3cc(ccc3O2)[Cl])NC(N1c1cccc(c1)C(NCc1cccs1)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6238 |
| logD: | 4.6238 |
| logSw: | -4.8623 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.508 |
| InChI Key: | PDGTXFFHCZFWGI-UHFFFAOYSA-N |