2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-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-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide
Compound characteristics
Compound ID: | K089-0179 |
Compound Name: | 2-(7-bromo-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N'-({3-[(6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl]-4-methoxyphenyl}methylidene)acetohydrazide |
Molecular Weight: | 724.66 |
Molecular Formula: | C38 H38 Br N5 O5 |
Smiles: | CC1c2cc(c(cc2CCN1Cc1cc(/C=N/NC(CN2C(CN=C(c3ccccc3)c3cc(ccc23)[Br])=O)=O)ccc1OC)OC)OC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.6978 |
logD: | 3.9085 |
logSw: | -4.2942 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.942 |
InChI Key: | JCLUIYQLVRUUIJ-DEOSSOPVSA-N |