2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-5-nitro-3H-indol-1-ium
Chemical Structure Depiction of
2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-5-nitro-3H-indol-1-ium
2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-5-nitro-3H-indol-1-ium
Compound characteristics
| Compound ID: | 6253-0067 |
| Compound Name: | 2-{2-[3-(methoxycarbonyl)phenyl]ethenyl}-1,3,3-trimethyl-5-nitro-3H-indol-1-ium |
| Molecular Weight: | 492.31 |
| Molecular Formula: | C21 H21 N2 O4 |
| Salt: | I- |
| Smiles: | CC1(C)C(/C=C/c2cccc(c2)C(=O)OC)=[N+](C)c2ccc(cc12)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 5.2863 |
| logD: | 5.2863 |
| logSw: | -5.4717 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.437 |
| InChI Key: | UPDAYRHLODVNMO-UHFFFAOYSA-N |