rel-(6R,9S)-2-(cyclopropylmethyl)-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Chemical Structure Depiction of
rel-(6R,9S)-2-(cyclopropylmethyl)-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
rel-(6R,9S)-2-(cyclopropylmethyl)-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one
Compound characteristics
| Compound ID: | SA13-0741 |
| Compound Name: | rel-(6R,9S)-2-(cyclopropylmethyl)-11-[3-(1H-pyrazol-1-yl)propanoyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one |
| Molecular Weight: | 356.43 |
| Molecular Formula: | C18 H24 N6 O2 |
| Smiles: | C(Cn1cccn1)C(N1[C@H]2CC[C@@H]1CN1C(C2)=NN(CC2CC2)C1=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.1284 |
| logD: | 0.1273 |
| logSw: | -0.2813 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 63.546 |
| InChI Key: | RCPMGFVEHIMQKG-GJZGRUSLSA-N |