2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | 5629-2444 |
| Compound Name: | 2-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-phenyl-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 531.59 |
| Molecular Formula: | C30 H21 N5 O3 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(c3ccccc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(CC(C)O2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1342 |
| logD: | 5.1342 |
| logSw: | -5.0134 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.683 |
| InChI Key: | WVVMZMJTEBBBFY-GOSISDBHSA-N |