rel-(6R,9S)-N-benzyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Chemical Structure Depiction of
rel-(6R,9S)-N-benzyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
rel-(6R,9S)-N-benzyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide
Compound characteristics
| Compound ID: | SA13-0677 |
| Compound Name: | rel-(6R,9S)-N-benzyl-2-(cyclopropylmethyl)-3-oxo-2,3,5,6,7,8,9,10-octahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocine-11-carboxamide |
| Molecular Weight: | 367.45 |
| Molecular Formula: | C20 H25 N5 O2 |
| Smiles: | C1CC1CN1C(N2C[C@H]3CC[C@@H](CC2=N1)N3C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.718 |
| logD: | 1.7169 |
| logSw: | -1.8858 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.444 |
| InChI Key: | FAFFHUXZWOCFQX-UHFFFAOYSA-N |