rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)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-(1,3-dimethyl-1H-pyrazole-5-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S802-0133 |
| Compound Name: | rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 477.61 |
| Molecular Formula: | C27 H35 N5 O3 |
| Smiles: | Cc1cc(C(N2CCCCCNC([C@H]3C[C@@H](C[C@@H]23)C(N2CCc3ccccc3C2)=O)=O)=O)n(C)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.5796 |
| logD: | 1.5796 |
| logSw: | -2.5986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.507 |
| InChI Key: | RVHSYWODYQMNBF-ZLNRFVROSA-N |