2-bromo-6-methoxy-4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
Chemical Structure Depiction of
2-bromo-6-methoxy-4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
2-bromo-6-methoxy-4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate
Compound characteristics
| Compound ID: | 5629-0697 |
| Compound Name: | 2-bromo-6-methoxy-4-[(6-oxo-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene)methyl]phenyl acetate |
| Molecular Weight: | 472.32 |
| Molecular Formula: | C20 H14 Br N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.1324 |
| logD: | 4.1324 |
| logSw: | -4.5111 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.751 |
| InChI Key: | HKBXJPJCVMWRSY-UHFFFAOYSA-N |