rel-(8aR,10R,11aS)-N-cyclohexyl-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide
Chemical Structure Depiction of
rel-(8aR,10R,11aS)-N-cyclohexyl-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide
rel-(8aR,10R,11aS)-N-cyclohexyl-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide
Compound characteristics
| Compound ID: | S802-0207 |
| Compound Name: | rel-(8aR,10R,11aS)-N-cyclohexyl-10-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-8-oxododecahydro-1H-cyclopenta[b][1,5]diazecine-1-carboxamide |
| Molecular Weight: | 480.65 |
| Molecular Formula: | C28 H40 N4 O3 |
| Smiles: | C1CCC(CC1)NC(N1CCCCCNC([C@H]2C[C@@H](C[C@@H]12)C(N1CCc2ccccc2C1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6528 |
| logD: | 3.6527 |
| logSw: | -3.7155 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.052 |
| InChI Key: | JZGSINMHCDGNTC-CAOCKLPOSA-N |