2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-6-[(4-fluorophenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-6-[(4-fluorophenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-6-[(4-fluorophenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0134 |
| Compound Name: | 2-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}-6-[(4-fluorophenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 501.54 |
| Molecular Formula: | C27 H20 F N3 O4 S |
| Smiles: | COc1cc(\C=C2/C(N3C(=NC(C(Cc4ccc(cc4)F)=N3)=O)S2)=O)ccc1OCc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.281 |
| logD: | 4.281 |
| logSw: | -4.6512 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.496 |
| InChI Key: | BBVKHMYGKIIHKR-UHFFFAOYSA-N |