3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-nitrobenzoate
Chemical Structure Depiction of
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-nitrobenzoate
3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-nitrobenzoate
Compound characteristics
| Compound ID: | 2729-0531 |
| Compound Name: | 3-acetyl-1-[2-(3,4-dimethoxyphenyl)ethyl]-2-methyl-1H-indol-5-yl 2-nitrobenzoate |
| Molecular Weight: | 502.52 |
| Molecular Formula: | C28 H26 N2 O7 |
| Smiles: | CC(c1c2cc(ccc2n(CCc2ccc(c(c2)OC)OC)c1C)OC(c1ccccc1[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5729 |
| logD: | 4.5729 |
| logSw: | -4.5713 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 83.963 |
| InChI Key: | CRDWSJIURSKSQS-UHFFFAOYSA-N |