rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[3-(4-methoxyphenyl)propanoyl]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-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S802-0035 |
| Compound Name: | rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[3-(4-methoxyphenyl)propanoyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C31 H39 N3 O4 |
| Smiles: | COc1ccc(CCC(N2CCCCCNC([C@H]3C[C@@H](C[C@@H]23)C(N2CCc3ccccc3C2)=O)=O)=O)cc1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6266 |
| logD: | 3.6266 |
| logSw: | -3.7188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.201 |
| InChI Key: | ZUBVHQZSRAGNJJ-ITHJLQSDSA-N |