2-amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-1H-pyrrole-3,4-dicarbonitrile
Chemical Structure Depiction of
2-amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-1H-pyrrole-3,4-dicarbonitrile
2-amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-1H-pyrrole-3,4-dicarbonitrile
Compound characteristics
Compound ID: | 8011-1499 |
Compound Name: | 2-amino-1-(4-methoxyphenyl)-5-(3-nitrophenyl)-1H-pyrrole-3,4-dicarbonitrile |
Molecular Weight: | 359.34 |
Molecular Formula: | C19 H13 N5 O3 |
Smiles: | COc1ccc(cc1)n1c(c2cccc(c2)[N+]([O-])=O)c(C#N)c(C#N)c1N |
Stereo: | ACHIRAL |
logP: | 3.1982 |
logD: | 3.1982 |
logSw: | -3.5736 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 95.726 |
InChI Key: | STDVTKCDSKGUQG-UHFFFAOYSA-N |