ethyl 3-{[(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Chemical Structure Depiction of
ethyl 3-{[(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
ethyl 3-{[(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
Compound characteristics
| Compound ID: | 3228-0029 |
| Compound Name: | ethyl 3-{[(dimethylamino)methylidene]amino}-1-methyl-5-nitro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate |
| Molecular Weight: | 319.32 |
| Molecular Formula: | C14 H17 N5 O4 |
| Smiles: | CCOC(c1c(c2cc(cnc2n1C)[N+]([O-])=O)/N=C/N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8022 |
| logD: | 0.8022 |
| logSw: | -1.5567 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 75.531 |
| InChI Key: | QYWIWLBZTHXNOY-UHFFFAOYSA-N |