rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S763-1605 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 476.58 |
| Molecular Formula: | C26 H32 N6 O3 |
| Smiles: | Cn1c(ccn1)C(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)c1nc(Cc2ccccc2)no1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7055 |
| logD: | 2.7055 |
| logSw: | -2.9431 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.921 |
| InChI Key: | RNIAQVYINYKPNR-SJBKTWHCSA-N |