5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one
5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 4228-0450 |
| Compound Name: | 5-({1-[4-(2,4-dinitrophenoxy)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}methylidene)-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 479.47 |
| Molecular Formula: | C22 H17 N5 O6 S |
| Smiles: | Cc1cc(/C=C2/C(NC(N2)=S)=O)c(C)n1c1ccc(cc1)Oc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.6546 |
| logD: | 3.6491 |
| logSw: | -4.0452 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.255 |
| InChI Key: | HVYYHJMRLJPJBG-UHFFFAOYSA-N |