6-benzyl-2-{[3-(4-methoxyphenyl)-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-benzyl-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-benzyl-2-{[3-(4-methoxyphenyl)-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: | 5629-2007 |
| Compound Name: | 6-benzyl-2-{[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C29 H21 N5 O3 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccccc3)=N2)=O)S1)=O)\c1cn(c2ccccc2)nc1c1ccc(cc1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.6909 |
| logD: | 4.6909 |
| logSw: | -4.4881 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.728 |
| InChI Key: | NUMFLZDRYSMYGQ-UHFFFAOYSA-N |