rel-(9aR,12aS)-N-ethyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-ethyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-N-ethyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0494 |
| Compound Name: | rel-(9aR,12aS)-N-ethyl-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 295.42 |
| Molecular Formula: | C16 H29 N3 O2 |
| Smiles: | CCNC(N1CCCCCCN(C)C([C@@H]2CCC[C@H]12)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4737 |
| logD: | 1.4736 |
| logSw: | -2.1219 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.247 |
| InChI Key: | LFYINBDWHWXVES-KGLIPLIRSA-N |