N-[(4-chlorophenyl)methyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
N-[(4-chlorophenyl)methyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide
Compound characteristics
| Compound ID: | C326-0402 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-3-[rel-(2R,6R)-2,8-dimethyl-4-oxo-5,6-dihydro-2H-2,6-methano-1,3,5-benzoxadiazocin-3(4H)-yl]benzamide |
| Molecular Weight: | 461.95 |
| Molecular Formula: | C26 H24 Cl N3 O3 |
| Smiles: | Cc1ccc2c(c1)[C@H]1C[C@](C)(N(C(N1)=O)c1cccc(c1)C(NCc1ccc(cc1)[Cl])=O)O2 |
| Stereo: | RELATIVE |
| logP: | 4.9871 |
| logD: | 4.9871 |
| logSw: | -5.2171 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.49 |
| InChI Key: | SNBIMBYZHLBOSR-UHFFFAOYSA-N |