3-acetyl-1,2-dimethyl-1H-indol-5-yl 4-nitrobenzoate
Chemical Structure Depiction of
3-acetyl-1,2-dimethyl-1H-indol-5-yl 4-nitrobenzoate
3-acetyl-1,2-dimethyl-1H-indol-5-yl 4-nitrobenzoate
Compound characteristics
| Compound ID: | 5132-1615 |
| Compound Name: | 3-acetyl-1,2-dimethyl-1H-indol-5-yl 4-nitrobenzoate |
| Molecular Weight: | 352.34 |
| Molecular Formula: | C19 H16 N2 O5 |
| Smiles: | CC(c1c2cc(ccc2n(C)c1C)OC(c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1656 |
| logD: | 3.1656 |
| logSw: | -3.5721 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.107 |
| InChI Key: | VRWKNSJDJXLRBY-UHFFFAOYSA-N |