({[sulfanediylbis(4,1-phenylene)azanylylidene]methanylylidene}-4,1-phenylene) bis(3,5-dinitrobenzoate)
Chemical Structure Depiction of
({[sulfanediylbis(4,1-phenylene)azanylylidene]methanylylidene}-4,1-phenylene) bis(3,5-dinitrobenzoate)
({[sulfanediylbis(4,1-phenylene)azanylylidene]methanylylidene}-4,1-phenylene) bis(3,5-dinitrobenzoate)
Compound characteristics
| Compound ID: | 8003-9131 |
| Compound Name: | ({[sulfanediylbis(4,1-phenylene)azanylylidene]methanylylidene}-4,1-phenylene) bis(3,5-dinitrobenzoate) |
| Molecular Weight: | 812.73 |
| Molecular Formula: | C40 H24 N6 O12 S |
| Smiles: | C(\c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O)=N/c1ccc(cc1)Sc1ccc(cc1)/N=C/c1ccc(cc1)OC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.8487 |
| logD: | 7.8486 |
| logSw: | -6.2314 |
| Hydrogen bond acceptors count: | 25 |
| Polar surface area: | 190.503 |
| InChI Key: | NVWYNDBRNZBCAC-UHFFFAOYSA-N |