2-bromo-6-methoxy-4-{[6-oxo-2-(4-propoxyphenyl)[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-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
2-bromo-6-methoxy-4-{[6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate
Compound characteristics
| Compound ID: | 5629-0702 |
| Compound Name: | 2-bromo-6-methoxy-4-{[6-oxo-2-(4-propoxyphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-5(6H)-ylidene]methyl}phenyl acetate |
| Molecular Weight: | 530.4 |
| Molecular Formula: | C23 H20 Br N3 O5 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccc(cc3)OCCC)n2)S1)=O)\c1cc(c(c(c1)[Br])OC(C)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1969 |
| logD: | 5.1969 |
| logSw: | -5.0836 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.169 |
| InChI Key: | RVRVFRTZIBDJKH-UHFFFAOYSA-N |