2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0040 |
| Compound Name: | 2-{[3-methoxy-4-(3-methylbutoxy)phenyl]methylidene}-6-[(4-methylphenyl)methyl]-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C26 H27 N3 O4 S |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(C)cc3)=N2)=O)S1)=O)\c1ccc(c(c1)OC)OCCC(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.8994 |
| logD: | 4.8994 |
| logSw: | -4.6025 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.687 |
| InChI Key: | DTTUHUWESGFVRC-UHFFFAOYSA-N |