rel-(9aR,12aS)-1-benzoyl-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-benzoyl-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-benzoyl-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0713 |
| Compound Name: | rel-(9aR,12aS)-1-benzoyl-5-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 409.53 |
| Molecular Formula: | C24 H31 N3 O3 |
| Smiles: | Cc1ccc(CN2CCCN(C(c3ccccc3)=O)[C@H]3CCC[C@H]3C(NCC2)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3705 |
| logD: | 1.4464 |
| logSw: | -2.9023 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.677 |
| InChI Key: | FPWDHUVLQZSOMJ-YADHBBJMSA-N |