{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(6R,9S)-3-methyl-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
{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone
{5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(6R,9S)-3-methyl-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: | SA12-0079 |
| Compound Name: | {5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]furan-2-yl}[rel-(6R,9S)-3-methyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]methanone |
| Molecular Weight: | 381.43 |
| Molecular Formula: | C20 H23 N5 O3 |
| Smiles: | Cc1c(Cc2ccc(C(N3[C@H]4CC[C@@H]3Cn3c(C)nnc3C4)=O)o2)c(C)on1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.6741 |
| logD: | 0.674 |
| logSw: | -1.5395 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.181 |
| InChI Key: | KBQFZGZTYIFWMG-UHFFFAOYSA-N |