rel-(9aR,12aS)-1-[(1H-indol-4-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(1H-indol-4-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(1H-indol-4-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0169 |
| Compound Name: | rel-(9aR,12aS)-1-[(1H-indol-4-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 339.48 |
| Molecular Formula: | C21 H29 N3 O |
| Smiles: | C1CCCN(Cc2cccc3c2cc[nH]3)[C@H]2CCC[C@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9818 |
| logD: | 2.446 |
| logSw: | -3.012 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 38.905 |
| InChI Key: | GQBZEKGNTOUPEQ-QUCCMNQESA-N |