5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
Chemical Structure Depiction of
5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one
Compound characteristics
| Compound ID: | 3609-0162 |
| Compound Name: | 5-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}-2-sulfanylideneimidazolidin-4-one |
| Molecular Weight: | 342.37 |
| Molecular Formula: | C16 H14 N4 O3 S |
| Smiles: | Cc1cc(\C=C2/C(NC(N2)=S)=O)c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.523 |
| logD: | 2.5176 |
| logSw: | -2.9978 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.34 |
| InChI Key: | CZRVOJDCKDDFGW-UHFFFAOYSA-N |