2-methoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Chemical Structure Depiction of
2-methoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
2-methoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 2556-1170 |
| Compound Name: | 2-methoxy-4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 438.42 |
| Molecular Formula: | C20 H14 N4 O6 S |
| Smiles: | CC(=O)Oc1ccc(\C=C2/C(n3c(nc(c4cccc(c4)[N+]([O-])=O)n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.5474 |
| logD: | 3.5474 |
| logSw: | -3.9285 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.046 |
| InChI Key: | JNEMDZOLIGFRFH-UHFFFAOYSA-N |