6-[(4-fluorophenyl)methyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-[(4-fluorophenyl)methyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-[(4-fluorophenyl)methyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0096 |
| Compound Name: | 6-[(4-fluorophenyl)methyl]-2-{[4-(propan-2-yl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 407.47 |
| Molecular Formula: | C22 H18 F N3 O2 S |
| Smiles: | CC(C)c1ccc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.4796 |
| logD: | 4.4796 |
| logSw: | -4.3364 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.552 |
| InChI Key: | YWUGETYIGMCXCQ-UHFFFAOYSA-N |