5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3214 |
| Compound Name: | 5-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-2-(4-bromophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 520.4 |
| Molecular Formula: | C25 H18 Br N3 O3 S |
| Smiles: | COc1cc(/C=C2/C(n3c(nc(c4ccc(cc4)[Br])n3)S2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0647 |
| logD: | 6.0647 |
| logSw: | -5.6309 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.141 |
| InChI Key: | LUTGJOBJGVOAMD-UHFFFAOYSA-N |