6-methyl-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-methyl-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-methyl-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
Compound ID: | 5629-2443 |
Compound Name: | 6-methyl-2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
Molecular Weight: | 469.52 |
Molecular Formula: | C25 H19 N5 O3 S |
Smiles: | [H]C(=C1/C(N2C(=NC(C(C)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(CC(C)O2)c1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.8446 |
logD: | 3.8446 |
logSw: | -3.9462 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 72.127 |
InChI Key: | DBCSMIFKCBCXMQ-CQSZACIVSA-N |