(1-methyl-1H-pyrrol-2-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
(1-methyl-1H-pyrrol-2-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
(1-methyl-1H-pyrrol-2-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: | SA12-0885 |
| Compound Name: | (1-methyl-1H-pyrrol-2-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: | 347.42 |
| Molecular Formula: | C20 H21 N5 O |
| Smiles: | Cn1cccc1C(N1[C@H]2CC[C@@H]1Cn1c(C2)nnc1c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0578 |
| logD: | 2.0578 |
| logSw: | -2.2641 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.941 |
| InChI Key: | USXZMRCAONVUHN-UHFFFAOYSA-N |