ethyl 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
ethyl 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8012-6020 |
| Compound Name: | ethyl 1-[3-(2-chloro-4-nitroanilino)propyl]-5-hydroxy-2-methyl-1H-indole-3-carboxylate |
| Molecular Weight: | 431.87 |
| Molecular Formula: | C21 H22 Cl N3 O5 |
| Smiles: | CCOC(c1c2cc(ccc2n(CCCNc2ccc(cc2[Cl])[N+]([O-])=O)c1C)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5424 |
| logD: | 4.5407 |
| logSw: | -4.5441 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.819 |
| InChI Key: | PGAXNYGVJCDMOB-UHFFFAOYSA-N |