1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(4-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-[(4-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(4-nitrophenyl)methyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 4758-2301 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-5-({1-[(4-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(c1ccc(cc1)[N+]([O-])=O)n1cc(\C=C2/C(NC(N(C2=O)c2ccc3c(c2)OCO3)=O)=O)c2ccccc12 |
| Stereo: | ACHIRAL |
| logP: | 3.7812 |
| logD: | 3.4094 |
| logSw: | -4.1734 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.62 |
| InChI Key: | BRZGLTYGTPWQLE-UHFFFAOYSA-N |