rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S731-0145 |
| Compound Name: | rel-(9aR,11R,12aS)-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 463.62 |
| Molecular Formula: | C28 H37 N3 O3 |
| Smiles: | Cc1ccc(CN2CCCCCCNC([C@@H]3C[C@H](C[C@H]23)C(N2CCc3ccccc3C2)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.7607 |
| logD: | 1.7641 |
| logSw: | -3.857 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.697 |
| InChI Key: | XHVLRASZMCULDT-DMDYGQEQSA-N |