2-(5-{[4-(diethylamino)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Chemical Structure Depiction of
2-(5-{[4-(diethylamino)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
2-(5-{[4-(diethylamino)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate
Compound characteristics
Compound ID: | 5629-0567 |
Compound Name: | 2-(5-{[4-(diethylamino)phenyl]methylidene}-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)phenyl acetate |
Molecular Weight: | 434.52 |
Molecular Formula: | C23 H22 N4 O3 S |
Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3OC(C)=O)n2)S1)=O)\c1ccc(cc1)N(CC)CC |
Stereo: | ACHIRAL |
logP: | 4.2095 |
logD: | 4.2078 |
logSw: | -4.5035 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 60.77 |
InChI Key: | DBWUCTMJODMNRZ-UHFFFAOYSA-N |