rel-(9aR,12aS)-1-[(1-methyl-1H-indol-3-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(1-methyl-1H-indol-3-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(1-methyl-1H-indol-3-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0194 |
| Compound Name: | rel-(9aR,12aS)-1-[(1-methyl-1H-indol-3-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 353.51 |
| Molecular Formula: | C22 H31 N3 O |
| Smiles: | Cn1cc(CN2CCCCCCNC([C@@H]3CCC[C@H]23)=O)c2ccccc12 |
| Stereo: | RELATIVE |
| logP: | 3.0211 |
| logD: | -0.1674 |
| logSw: | -3.0729 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.684 |
| InChI Key: | GKHSQDRRYOVFHJ-CTNGQTDRSA-N |