rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(4-fluorophenoxy)acetyl]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-[(4-fluorophenoxy)acetyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(4-fluorophenoxy)acetyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one
Compound characteristics
| Compound ID: | S802-0039 |
| Compound Name: | rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-1-[(4-fluorophenoxy)acetyl]dodecahydro-8H-cyclopenta[b][1,5]diazecin-8-one |
| Molecular Weight: | 507.61 |
| Molecular Formula: | C29 H34 F N3 O4 |
| Smiles: | C1CCNC([C@H]2C[C@@H](C[C@H]2N(CC1)C(COc1ccc(cc1)F)=O)C(N1CCc2ccccc2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.9529 |
| logD: | 2.9529 |
| logSw: | -3.1986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.156 |
| InChI Key: | LFURZICBFNUORU-DFCKQENNSA-N |