(2R*)-3-(3,4-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Chemical Structure Depiction of
(2R*)-3-(3,4-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
(2R*)-3-(3,4-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one
Compound characteristics
| Compound ID: | C269-0348 |
| Compound Name: | (2R*)-3-(3,4-dimethylphenyl)-2,8-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3,5-benzoxadiazocin-4-one |
| Molecular Weight: | 322.41 |
| Molecular Formula: | C20 H22 N2 O2 |
| Smiles: | Cc1ccc2c(c1)[C@@H]1C[C@@](C)(N(C(N1)=O)c1ccc(C)c(C)c1)O2 |
| Stereo: | RELATIVE |
| logP: | 4.9138 |
| logD: | 4.9138 |
| logSw: | -4.6343 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.077 |
| InChI Key: | RRNXNBFZKLCBNW-XLIONFOSSA-N |