2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0072 |
| Compound Name: | 2-{[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-6-[(4-methoxyphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 577.62 |
| Molecular Formula: | C31 H23 N5 O5 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(cc3)OC)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc2c(c1)OCCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.8392 |
| logD: | 3.8392 |
| logSw: | -4.0619 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.551 |
| InChI Key: | BOCXHVHOFMJEOG-UHFFFAOYSA-N |