(4-methyl-1,3-oxazol-5-yl)[rel-(6R,9S)-3-(2-methylpropyl)-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-(2-methylpropyl)-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-(2-methylpropyl)-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: | SA12-0446 |
| Compound Name: | (4-methyl-1,3-oxazol-5-yl)[rel-(6R,9S)-3-(2-methylpropyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 329.4 |
| Molecular Formula: | C17 H23 N5 O2 |
| Smiles: | CC(C)Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(c1c(C)nco1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.37 |
| logD: | 0.3697 |
| logSw: | -0.8928 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 60.686 |
| InChI Key: | UFUVVSBDQUXHBW-OLZOCXBDSA-N |