rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethylphenyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide
Chemical Structure Depiction of
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethylphenyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide
rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethylphenyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide
Compound characteristics
| Compound ID: | S802-0216 |
| Compound Name: | rel-(8aR,10R,11aS)-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-N-(3,4-dimethylphenyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide |
| Molecular Weight: | 502.66 |
| Molecular Formula: | C30 H38 N4 O3 |
| Smiles: | Cc1ccc(cc1C)NC(N1CCCCCNC([C@H]2C[C@@H](C[C@@H]12)C(N1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.2792 |
| logD: | 4.2791 |
| logSw: | -4.2272 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.005 |
| InChI Key: | PTVQWUIMWBQSGR-OIKPOIBNSA-N |