rel-(9aR,13aS)-1-(1-methyl-1H-indazole-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-1-(1-methyl-1H-indazole-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
rel-(9aR,13aS)-1-(1-methyl-1H-indazole-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one
Compound characteristics
| Compound ID: | S775-0053 |
| Compound Name: | rel-(9aR,13aS)-1-(1-methyl-1H-indazole-3-carbonyl)tetradecahydro-9H-1,8-benzodiazacycloundecin-9-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | Cn1c2ccccc2c(C(N2CCCCCCNC([C@@H]3CCCC[C@H]23)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.4659 |
| logD: | 2.4659 |
| logSw: | -2.8259 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.044 |
| InChI Key: | QRNXPAYTHVRFSO-MJGOQNOKSA-N |