rel-(9aR,12aS)-8-methyl-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-8-methyl-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-8-methyl-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0404 |
| Compound Name: | rel-(9aR,12aS)-8-methyl-1-(1-methyl-1H-pyrazole-5-carbonyl)dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 332.44 |
| Molecular Formula: | C18 H28 N4 O2 |
| Smiles: | CN1CCCCCCN(C(c2ccnn2C)=O)[C@H]2CCC[C@H]2C1=O |
| Stereo: | RELATIVE |
| logP: | 0.8936 |
| logD: | 0.8936 |
| logSw: | -1.8704 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.857 |
| InChI Key: | QHLOQTCESAXUSN-CABCVRRESA-N |