rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(2-fluorophenyl)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-[(2-fluorophenyl)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-[(2-fluorophenyl)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: | SA13-0666 |
Compound Name: | rel-(6R,9S)-2-(cyclopropylmethyl)-11-[(2-fluorophenyl)acetyl]-5,6,7,8,9,10-hexahydro-6,9-epimino[1,2,4]triazolo[4,3-a]azocin-3(2H)-one |
Molecular Weight: | 370.43 |
Molecular Formula: | C20 H23 F N4 O2 |
Smiles: | C1CC1CN1C(N2C[C@H]3CC[C@@H](CC2=N1)N3C(Cc1ccccc1F)=O)=O |
Stereo: | RACEMIC MIXTURE (RELATIVE) |
logP: | 2.1224 |
logD: | 2.1212 |
logSw: | -2.3407 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 48.773 |
InChI Key: | HPWHYDHYUHRCFX-CVEARBPZSA-N |