rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(3-methylphenyl)acetyl]-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-methylphenyl)acetyl]-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-methylphenyl)acetyl]-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: | SA13-0736 |
| Compound Name: | rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(3-methylphenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C21 H26 N4 O2 |
| Smiles: | Cc1cccc(CC(N2[C@H]3CC[C@@H]2CN2C(C3)=NN(CC3CC3)C2=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.5808 |
| logD: | 2.5797 |
| logSw: | -2.5705 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 48.773 |
| InChI Key: | ZXNVABVNELJNRW-ROUUACIJSA-N |