rel-(6R,9S)-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Chemical Structure Depiction of
rel-(6R,9S)-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0850 |
| Compound Name: | rel-(6R,9S)-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-phenyl-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C19 H21 N5 S |
| Smiles: | Cc1c(CN2[C@H]3CC[C@@H]2Cn2c(C3)nnc2c2ccccc2)scn1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.1207 |
| logD: | 2.1203 |
| logSw: | -1.9613 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 38.145 |
| InChI Key: | RPXJNNDIABPJJY-UHFFFAOYSA-N |