2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
Chemical Structure Depiction of
2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
Compound characteristics
| Compound ID: | K089-0176 |
| Compound Name: | 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide |
| Molecular Weight: | 658.51 |
| Molecular Formula: | C31 H28 Br N7 O5 |
| Smiles: | Cc1c(c(C)n(Cc2cc(/C=N/NC(CN3C(CN=C(c4ccccc4)c4cc(ccc34)[Br])=O)=O)ccc2OC)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8062 |
| logD: | 3.8061 |
| logSw: | -4.1689 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.007 |
| InChI Key: | HZSCIGGNSJUOCN-UHFFFAOYSA-N |