(4-methyl-1,3-oxazol-5-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
Chemical Structure Depiction of
(4-methyl-1,3-oxazol-5-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
(4-methyl-1,3-oxazol-5-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
Compound characteristics
| Compound ID: | SA12-0864 |
| Compound Name: | (4-methyl-1,3-oxazol-5-yl)[rel-(6R,9S)-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C19 H19 N5 O2 |
| Smiles: | Cc1c(C(N2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)=O)ocn1 |
| Stereo: | RELATIVE |
| logP: | 0.8209 |
| logD: | 0.8209 |
| logSw: | -1.3852 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.438 |
| InChI Key: | MDGNDXMHHMEJAV-UHFFFAOYSA-N |