ethyl 1-ethyl-2-methyl-5-[(4-nitrobenzoyl)oxy]-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-ethyl-2-methyl-5-[(4-nitrobenzoyl)oxy]-1H-indole-3-carboxylate
ethyl 1-ethyl-2-methyl-5-[(4-nitrobenzoyl)oxy]-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 3541-0937 |
| Compound Name: | ethyl 1-ethyl-2-methyl-5-[(4-nitrobenzoyl)oxy]-1H-indole-3-carboxylate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | CCn1c(C)c(C(=O)OCC)c2cc(ccc12)OC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3653 |
| logD: | 4.3653 |
| logSw: | -4.5531 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 75.948 |
| InChI Key: | LBDVFICHPJWDIZ-UHFFFAOYSA-N |