2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 4724-4503 |
| Compound Name: | 2-{[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C22 H16 N4 O3 S |
| Smiles: | Cc1cc(/C=C2/C(n3c4ccccc4nc3S2)=O)c(C)n1c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4197 |
| logD: | 4.4197 |
| logSw: | -4.4896 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.499 |
| InChI Key: | VREHXKPBVVZDDM-UHFFFAOYSA-N |