rel-(9aR,12aS)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0145 |
| Compound Name: | rel-(9aR,12aS)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 304.43 |
| Molecular Formula: | C18 H28 N2 O2 |
| Smiles: | Cc1ccc(CN2CCCCCCNC([C@@H]3CCC[C@H]23)=O)o1 |
| Stereo: | RELATIVE |
| logP: | 2.5219 |
| logD: | 1.192 |
| logSw: | -2.9572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.387 |
| InChI Key: | KGUKTJQMIDWOOB-SJORKVTESA-N |