2-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Chemical Structure Depiction of
2-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
2-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one
Compound characteristics
| Compound ID: | 1809-0066 |
| Compound Name: | 2-{[5-(2-methoxy-5-nitrophenyl)furan-2-yl]methylidene}[1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one |
| Molecular Weight: | 419.41 |
| Molecular Formula: | C21 H13 N3 O5 S |
| Smiles: | COc1ccc(cc1c1ccc(\C=C2/C(n3c4ccccc4nc3S2)=O)o1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5162 |
| logD: | 4.5162 |
| logSw: | -4.5697 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.034 |
| InChI Key: | YKCAQFZHQZDHEN-UHFFFAOYSA-N |