rel-(6R,9S)-N-(3-chlorophenyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-(3-chlorophenyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-N-(3-chlorophenyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA12-0220 |
| Compound Name: | rel-(6R,9S)-N-(3-chlorophenyl)-3-(propan-2-yl)-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 359.86 |
| Molecular Formula: | C18 H22 Cl N5 O |
| Smiles: | CC(C)c1nnc2C[C@@H]3CC[C@H](Cn12)N3C(Nc1cccc(c1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4453 |
| logD: | 2.444 |
| logSw: | -3.4101 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.617 |
| InChI Key: | DKGULVGDKQPVMQ-UHFFFAOYSA-N |