N-{4-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-nitrophenyl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{4-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-nitrophenyl}-4-nitrobenzamide
N-{4-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-nitrophenyl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | K014-0057 |
| Compound Name: | N-{4-[(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)amino]-2-nitrophenyl}-4-nitrobenzamide |
| Molecular Weight: | 510.26 |
| Molecular Formula: | C21 H12 Br N5 O6 |
| Smiles: | c1cc(ccc1C(Nc1ccc(cc1[N+]([O-])=O)/N=C1C(Nc2ccc(cc/12)[Br])=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5 |
| logD: | 3.9916 |
| logSw: | -4.5361 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 121.073 |
| InChI Key: | WJSKGEXOBYRTNF-UHFFFAOYSA-N |