rel-(9aR,11R,12aS)-N-cyclohexyl-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N-cyclohexyl-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,11R,12aS)-N-cyclohexyl-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S731-0209 |
| Compound Name: | rel-(9aR,11R,12aS)-N-cyclohexyl-11-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 494.68 |
| Molecular Formula: | C29 H42 N4 O3 |
| Smiles: | C1CCC(CC1)NC(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)C(N1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1487 |
| logD: | 4.1486 |
| logSw: | -4.0713 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.052 |
| InChI Key: | YLMBPJARADJNDE-DMDYGQEQSA-N |