N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
Chemical Structure Depiction of
N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide
Compound characteristics
| Compound ID: | S768-0150 |
| Compound Name: | N-ethyl-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]-7-hydroxy-1-methyl-2,3,4,5,6,7-hexahydro-1H-1-benzazonine-9-carboxamide |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C22 H32 N4 O2 |
| Smiles: | CCN(Cc1cnn(CC)c1)C(c1ccc2c(c1)C(CCCCCN2C)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9352 |
| logD: | 1.9349 |
| logSw: | -2.6957 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.172 |
| InChI Key: | DRLRTJOZBMBPAZ-NRFANRHFSA-N |