1-[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]-3-(4-methoxyphenyl)propan-1-one
Chemical Structure Depiction of
1-[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]-3-(4-methoxyphenyl)propan-1-one
1-[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]-3-(4-methoxyphenyl)propan-1-one
Compound characteristics
| Compound ID: | SA12-0538 |
| Compound Name: | 1-[rel-(6R,9S)-3-(methoxymethyl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-11-yl]-3-(4-methoxyphenyl)propan-1-one |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C20 H26 N4 O3 |
| Smiles: | COCc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CCc1ccc(cc1)OC)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.5803 |
| logD: | 0.5803 |
| logSw: | -1.6672 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 57.212 |
| InChI Key: | MKLVFRWFBGOVHV-CVEARBPZSA-N |