ethyl 3-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate
ethyl 3-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G851-0564 |
| Compound Name: | ethyl 3-[(1-methyl-4-nitro-1H-pyrrole-2-carbonyl)amino]benzoate |
| Molecular Weight: | 317.3 |
| Molecular Formula: | C15 H15 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(c1cc(cn1C)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.892 |
| logD: | 2.8907 |
| logSw: | -3.3224 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.775 |
| InChI Key: | HDHKQEIPVCEOCC-UHFFFAOYSA-N |