6-[(4-fluorophenyl)methyl]-2-{[3-methoxy-4-(pentyloxy)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-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-[(4-fluorophenyl)methyl]-2-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0136 |
| Compound Name: | 6-[(4-fluorophenyl)methyl]-2-{[3-methoxy-4-(pentyloxy)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 481.55 |
| Molecular Formula: | C25 H24 F N3 O4 S |
| Smiles: | CCCCCOc1ccc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.7852 |
| logD: | 4.7852 |
| logSw: | -4.6168 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.687 |
| InChI Key: | JLAFHSVHPOFAFV-UHFFFAOYSA-N |