N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-N,1-dimethyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
Chemical Structure Depiction of
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-N,1-dimethyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-N,1-dimethyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
Compound characteristics
| Compound ID: | S768-0144 |
| Compound Name: | N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-N,1-dimethyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C22 H32 N4 O2 |
| Smiles: | CCn1cc(CN(C)C(c2ccc3c(c2)C(CCCCCN3C)O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.899 |
| logD: | 1.8988 |
| logSw: | -2.5674 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.74 |
| InChI Key: | LKXSMMLRLOESJQ-NRFANRHFSA-N |