3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(1,3-thiazol-2-yl)benzamide
Chemical Structure Depiction of
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(1,3-thiazol-2-yl)benzamide
3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(1,3-thiazol-2-yl)benzamide
Compound characteristics
| Compound ID: | 3952-0648 |
| Compound Name: | 3-(6-nitro-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)-N-(1,3-thiazol-2-yl)benzamide |
| Molecular Weight: | 444.42 |
| Molecular Formula: | C22 H12 N4 O5 S |
| Smiles: | c1cc(cc(c1)N1C(c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O)=O)C(Nc1nccs1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3651 |
| logD: | 3.3357 |
| logSw: | -4.2151 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.893 |
| InChI Key: | HPELKXLXQUADAM-UHFFFAOYSA-N |