1-(5H-dibenzo[b,f]azepin-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Chemical Structure Depiction of
1-(5H-dibenzo[b,f]azepin-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
1-(5H-dibenzo[b,f]azepin-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one
Compound characteristics
| Compound ID: | 8018-7426 |
| Compound Name: | 1-(5H-dibenzo[b,f]azepin-5-yl)-2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethan-1-one |
| Molecular Weight: | 374.4 |
| Molecular Formula: | C21 H18 N4 O3 |
| Smiles: | Cc1c(c(C)n(CC(N2c3ccccc3C=Cc3ccccc23)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9096 |
| logD: | 2.9096 |
| logSw: | -3.3345 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.006 |
| InChI Key: | ISFGQNQHEWZAAL-UHFFFAOYSA-N |