5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Chemical Structure Depiction of
5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Compound characteristics
| Compound ID: | 5629-2427 |
| Compound Name: | 5-{[3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one |
| Molecular Weight: | 503.58 |
| Molecular Formula: | C29 H21 N5 O2 S |
| Smiles: | [H]C(=C1/C(n2c(nc(c3ccccc3)n2)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(CC(C)O2)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1414 |
| logD: | 6.1414 |
| logSw: | -5.524 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.23 |
| InChI Key: | SJEQVCRFAOUCAI-GOSISDBHSA-N |