rel-(9aR,12aS)-8-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0396 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-{5-[(morpholin-4-yl)methyl]-1,2-oxazole-3-carbonyl}dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C22 H34 N4 O4 |
| Smiles: | CN1CCCCCCN(C(c2cc(CN3CCOCC3)on2)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2188 |
| logD: | 1.2096 |
| logSw: | -1.9539 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.825 |
| InChI Key: | QZDLPDMQIGNQJG-QUCCMNQESA-N |