4-{[3-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-1H-inden-1-ylidene]methyl}-N,N-dimethylaniline
Chemical Structure Depiction of
4-{[3-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-1H-inden-1-ylidene]methyl}-N,N-dimethylaniline
4-{[3-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-1H-inden-1-ylidene]methyl}-N,N-dimethylaniline
Compound characteristics
| Compound ID: | S400-0030 |
| Compound Name: | 4-{[3-(5,7-dinitro-3-oxo-2,1lambda~5~,3-benzoxadiazol-4-yl)-1H-inden-1-ylidene]methyl}-N,N-dimethylaniline |
| Molecular Weight: | 471.43 |
| Molecular Formula: | C24 H17 N5 O6 |
| Smiles: | CN(C)c1ccc(\C=C2/C=C(c3ccccc23)c2c(cc(c3c2[n+]([O-])on3)[N+]([O-])=O)[N+]([O-])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9565 |
| logD: | 4.9564 |
| logSw: | -4.8255 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 110.215 |
| InChI Key: | OQQTZZRHLVLGDQ-UHFFFAOYSA-N |