1-(5H-dibenzo[b,f]azepin-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(5H-dibenzo[b,f]azepin-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(5H-dibenzo[b,f]azepin-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-7428 |
| Compound Name: | 1-(5H-dibenzo[b,f]azepin-5-yl)-2-(5-methyl-3-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C20 H16 N4 O3 |
| Smiles: | Cc1cc(nn1CC(N1c2ccccc2C=Cc2ccccc12)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.6505 |
| logD: | 2.6505 |
| logSw: | -3.0602 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.719 |
| InChI Key: | DQFNTMUQCDMJIS-UHFFFAOYSA-N |