3-(1,3-benzothiazol-2-yl)-1-[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]propan-1-one
Chemical Structure Depiction of
3-(1,3-benzothiazol-2-yl)-1-[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]propan-1-one
3-(1,3-benzothiazol-2-yl)-1-[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]propan-1-one
Compound characteristics
| Compound ID: | SA12-0065 |
| Compound Name: | 3-(1,3-benzothiazol-2-yl)-1-[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]propan-1-one |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C19 H21 N5 O S |
| Smiles: | Cc1nnc2C[C@@H]3CC[C@H](Cn12)N3C(CCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0964 |
| logD: | 1.0961 |
| logSw: | -2.0206 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.261 |
| InChI Key: | IRENPJIPPJPJSO-UHFFFAOYSA-N |