2-methoxyethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate
2-methoxyethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate
Compound characteristics
| Compound ID: | 8018-1316 |
| Compound Name: | 2-methoxyethyl 5-hydroxy-2-methyl-1-[3-(4-nitroanilino)propyl]-1H-indole-3-carboxylate |
| Molecular Weight: | 427.46 |
| Molecular Formula: | C22 H25 N3 O6 |
| Smiles: | Cc1c(C(=O)OCCOC)c2cc(ccc2n1CCCNc1ccc(cc1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 3.0276 |
| logD: | 3.0258 |
| logSw: | -3.1992 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.154 |
| InChI Key: | PYDVRIZJUBOFJF-UHFFFAOYSA-N |