rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Chemical Structure Depiction of
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S802-0145 |
| Compound Name: | rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(5-methylfuran-2-yl)methyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C27 H35 N3 O3 |
| Smiles: | Cc1ccc(CN2CCCCCNC([C@H]3C[C@@H](C[C@@H]23)C(N2CCc3ccccc3C2)=O)=O)o1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2648 |
| logD: | 1.3832 |
| logSw: | -3.1964 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.697 |
| InChI Key: | GDIURTMPUNHPIR-CAOCKLPOSA-N |