2-(4-bromophenyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
2-(4-bromophenyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
2-(4-bromophenyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 4341-3212 |
| Compound Name: | 2-(4-bromophenyl)-5-[(4-butoxy-3-methoxyphenyl)methylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 486.39 |
| Molecular Formula: | C22 H20 Br N3 O3 S |
| Smiles: | CCCCOc1ccc(/C=C2/C(n3c(nc(c4ccc(cc4)[Br])n3)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 6.0188 |
| logD: | 6.0188 |
| logSw: | -5.4302 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.331 |
| InChI Key: | SQMBKUFVVHCLSC-UHFFFAOYSA-N |