rel-(9aR,12aS)-N-(3-methoxypropyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,12aS)-N-(3-methoxypropyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
rel-(9aR,12aS)-N-(3-methoxypropyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S732-0502 |
| Compound Name: | rel-(9aR,12aS)-N-(3-methoxypropyl)-8-methyl-9-oxododecahydrocyclopenta[b][1,5]diazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 339.48 |
| Molecular Formula: | C18 H33 N3 O3 |
| Smiles: | CN1CCCCCCN(C(NCCCOC)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.65 |
| logD: | 1.65 |
| logSw: | -2.3892 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.805 |
| InChI Key: | MTHGXDAFVQDFQZ-CVEARBPZSA-N |