1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(3-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(3-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(3-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 4758-2313 |
Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(3-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 510.46 |
Molecular Formula: | C27 H18 N4 O7 |
Smiles: | C(c1cccc(c1)[N+]([O-])=O)n1cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12 |
Stereo: | ACHIRAL |
logP: | 3.7177 |
logD: | 3.3459 |
logSw: | -4.2178 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 105.62 |
InChI Key: | DMRBYSULSNCHDL-UHFFFAOYSA-N |