rel-(6R,9S)-2-(cyclopropylmethyl)-N-[(furan-2-yl)methyl]-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)-2-(cyclopropylmethyl)-N-[(furan-2-yl)methyl]-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)-2-(cyclopropylmethyl)-N-[(furan-2-yl)methyl]-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: | SA13-0727 |
| Compound Name: | rel-(6R,9S)-2-(cyclopropylmethyl)-N-[(furan-2-yl)methyl]-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: | 357.41 |
| Molecular Formula: | C18 H23 N5 O3 |
| Smiles: | C1CC1CN1C(N2C[C@H]3CC[C@@H](CC2=N1)N3C(NCc1ccco1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4686 |
| logD: | 1.4675 |
| logSw: | -1.6666 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.192 |
| InChI Key: | JMIQQXCBUQSIMF-UHFFFAOYSA-N |