5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-0186 |
| Compound Name: | 5-{[5-(3-bromophenyl)furan-2-yl]methylidene}-2-(2,3-dihydro-1,4-benzodioxin-2-yl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 508.35 |
| Molecular Formula: | C23 H14 Br N3 O4 S |
| Smiles: | [H]C(=C1/C(n2c(nc(C3COc4ccccc4O3)n2)S1)=O)\c1ccc(c2cccc(c2)[Br])o1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7768 |
| logD: | 5.7768 |
| logSw: | -5.9681 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.203 |
| InChI Key: | XSUMJTTVELOKRX-IBGZPJMESA-N |