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: | 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 |