7-[(acetyloxy)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-yl acetate
Chemical Structure Depiction of
7-[(acetyloxy)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-yl acetate
7-[(acetyloxy)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-yl acetate
Compound characteristics
| Compound ID: | 3474-0100 |
| Compound Name: | 7-[(acetyloxy)methyl]-2-methyl-1-(4-methylphenyl)-3-nitro-1H-indol-6-yl acetate |
| Molecular Weight: | 396.4 |
| Molecular Formula: | C21 H20 N2 O6 |
| Smiles: | CC(=O)OCc1c(ccc2c(c(C)n(c3ccc(C)cc3)c12)[N+]([O-])=O)OC(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0921 |
| logD: | 4.0921 |
| logSw: | -4.5462 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 76.807 |
| InChI Key: | PHUMYNOPYMKMNR-UHFFFAOYSA-N |