rel-(3R,6S,7S)-5,6,7,8-tetrahydro-3H-3,6-epoxy-2,7-methano-4,1,8-benzoxadiazecine
Chemical Structure Depiction of
rel-(3R,6S,7S)-5,6,7,8-tetrahydro-3H-3,6-epoxy-2,7-methano-4,1,8-benzoxadiazecine
rel-(3R,6S,7S)-5,6,7,8-tetrahydro-3H-3,6-epoxy-2,7-methano-4,1,8-benzoxadiazecine
Compound characteristics
| Compound ID: | 8015-7000 |
| Compound Name: | rel-(3R,6S,7S)-5,6,7,8-tetrahydro-3H-3,6-epoxy-2,7-methano-4,1,8-benzoxadiazecine |
| Molecular Weight: | 216.24 |
| Molecular Formula: | C12 H12 N2 O2 |
| Smiles: | C1C2[C@@H]3OC[C@H]([C@H]1Nc1ccccc1N=2)O3 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2282 |
| logD: | 1.2281 |
| logSw: | -1.6576 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.471 |
| InChI Key: | XUPOORDQQXZJGT-YUSALJHKSA-N |