1-methyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
Chemical Structure Depiction of
1-methyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
1-methyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide
Compound characteristics
| Compound ID: | G851-0565 |
| Compound Name: | 1-methyl-N-[(4-methylphenyl)methyl]-4-nitro-1H-pyrrole-2-carboxamide |
| Molecular Weight: | 273.29 |
| Molecular Formula: | C14 H15 N3 O3 |
| Smiles: | Cc1ccc(CNC(c2cc(cn2C)[N+]([O-])=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.2769 |
| logD: | 2.2767 |
| logSw: | -2.7128 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.343 |
| InChI Key: | ZGROLFHJSSBRBO-UHFFFAOYSA-N |