11-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
11-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
11-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 5236-0151 |
| Compound Name: | 11-{4-methoxy-3-[(4-nitro-1H-pyrazol-1-yl)methyl]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C26 H27 N5 O4 |
| Smiles: | CC1(C)CC2=C(C(c3ccc(c(Cn4cc(cn4)[N+]([O-])=O)c3)OC)Nc3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9298 |
| logD: | 3.9193 |
| logSw: | -4.0025 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.266 |
| InChI Key: | WWNOXFQASRCCAJ-VWLOTQADSA-N |