5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 3236-0111 |
| Compound Name: | 5-{[5-(4-bromophenyl)furan-2-yl]methylidene}-2-(4-methylphenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 464.34 |
| Molecular Formula: | C22 H14 Br N3 O2 S |
| Smiles: | Cc1ccc(cc1)c1nc2n(C(/C(=C\c3ccc(c4ccc(cc4)[Br])o3)S2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.6618 |
| logD: | 6.6618 |
| logSw: | -5.7423 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.766 |
| InChI Key: | MGMGXDVTDTYAIJ-UHFFFAOYSA-N |