rel-(9aR,12aS)-1-acetyl-5-[3-(1H-indol-3-yl)propanoyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-acetyl-5-[3-(1H-indol-3-yl)propanoyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-acetyl-5-[3-(1H-indol-3-yl)propanoyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0009 |
| Compound Name: | rel-(9aR,12aS)-1-acetyl-5-[3-(1H-indol-3-yl)propanoyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 424.54 |
| Molecular Formula: | C24 H32 N4 O3 |
| Smiles: | CC(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)C(CCc1c[nH]c2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.027 |
| logD: | 1.027 |
| logSw: | -2.3167 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.413 |
| InChI Key: | QANPIGLHQMJZTK-IRLDBZIGSA-N |