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
4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
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: | 2556-1173 |
| Compound Name: | 4-{[2-(3-nitrophenyl)-6-oxo[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 408.39 |
| Molecular Formula: | C19 H12 N4 O5 S |
| Smiles: | CC(=O)Oc1ccc(\C=C2/C(n3c(nc(c4cccc(c4)[N+]([O-])=O)n3)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.5146 |
| logD: | 3.5146 |
| logSw: | -3.9154 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 91.328 |
| InChI Key: | XVAAFBVYVBWNPD-UHFFFAOYSA-N |