rel-(6aR,6bS,9aR,10S)-8-methyl-10-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Chemical Structure Depiction of
rel-(6aR,6bS,9aR,10S)-8-methyl-10-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
rel-(6aR,6bS,9aR,10S)-8-methyl-10-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione
Compound characteristics
| Compound ID: | 8015-6824 |
| Compound Name: | rel-(6aR,6bS,9aR,10S)-8-methyl-10-(tricyclo[3.3.1.1~3,7~]decane-1-carbonyl)-9a,10-dihydro-6aH-pyrrolo[3',4':3,4]pyrrolo[1,2-a]quinoline-7,9(6bH,8H)-dione |
| Molecular Weight: | 416.52 |
| Molecular Formula: | C26 H28 N2 O3 |
| Smiles: | [H][C@]12C(N(C)C([C@@]1([H])[C@@H](C(C13CC4CC(CC(C4)C3)C1)=O)N1c3ccccc3C=C[C@@]12[H])=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.8359 |
| logD: | 3.8359 |
| logSw: | -4.2708 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.294 |
| InChI Key: | UFSVEZBGPOFWFW-JJFWBQGHSA-N |