methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate
methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate
Compound characteristics
| Compound ID: | 4286-0048 |
| Compound Name: | methyl 4-cyano-3-(3,5-dinitrobenzamido)-1,5-dimethyl-1H-pyrrole-2-carboxylate |
| Molecular Weight: | 387.31 |
| Molecular Formula: | C16 H13 N5 O7 |
| Smiles: | Cc1c(C#N)c(c(C(=O)OC)n1C)NC(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.193 |
| logD: | -6.5077 |
| logSw: | -2.3305 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 128.736 |
| InChI Key: | VOZNGRHMRNVXJG-UHFFFAOYSA-N |