rel-(9aR,13aS)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0274 |
| Compound Name: | rel-(9aR,13aS)-1-[(4-methyl-1H-pyrazol-1-yl)acetyl]tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 346.47 |
| Molecular Formula: | C19 H30 N4 O2 |
| Smiles: | Cc1cnn(CC(N2CCCCCCNC([C@@H]3CCCC[C@H]23)=O)=O)c1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4714 |
| logD: | 1.4714 |
| logSw: | -2.2837 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.758 |
| InChI Key: | DCWDFULIUBGNDL-SJORKVTESA-N |