N,N-dimethyl-3-{4-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Chemical Structure Depiction of
N,N-dimethyl-3-{4-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
N,N-dimethyl-3-{4-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide
Compound characteristics
| Compound ID: | S629-1203 |
| Compound Name: | N,N-dimethyl-3-{4-[(3-phenyl-1H-pyrazol-4-yl)methyl]-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}propanamide |
| Molecular Weight: | 404.51 |
| Molecular Formula: | C24 H28 N4 O2 |
| Smiles: | CN(C)C(CCc1ccc2c(CN(CCO2)Cc2c[nH]nc2c2ccccc2)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7995 |
| logD: | 0.2532 |
| logSw: | -3.3252 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.578 |
| InChI Key: | RRBRBHAXDYOETR-UHFFFAOYSA-N |