rel-(6R,9S)-3-ethyl-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-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)-3-ethyl-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
rel-(6R,9S)-3-ethyl-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine
Compound characteristics
| Compound ID: | SA12-0127 |
| Compound Name: | rel-(6R,9S)-3-ethyl-11-[(4-methyl-1,3-thiazol-5-yl)methyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine |
| Molecular Weight: | 303.43 |
| Molecular Formula: | C15 H21 N5 S |
| Smiles: | CCc1nnc2C[C@@H]3CC[C@H](Cn12)N3Cc1c(C)ncs1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.8196 |
| logD: | 0.8106 |
| logSw: | -1.2875 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 39.393 |
| InChI Key: | DLBCQCCBSCTHRP-NEPJUHHUSA-N |