6-[(4-methylphenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Chemical Structure Depiction of
6-[(4-methylphenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
6-[(4-methylphenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione
Compound characteristics
| Compound ID: | C451-0056 |
| Compound Name: | 6-[(4-methylphenyl)methyl]-2-{[4-(methylsulfanyl)phenyl]methylidene}-7H-[1,3]thiazolo[3,2-b][1,2,4]triazine-3,7(2H)-dione |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C21 H17 N3 O2 S2 |
| Smiles: | [H]C(=C1/C(N2C(=NC(C(Cc3ccc(C)cc3)=N2)=O)S1)=O)\c1ccc(cc1)SC |
| Stereo: | ACHIRAL |
| logP: | 4.2551 |
| logD: | 4.2551 |
| logSw: | -4.2867 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.552 |
| InChI Key: | SFXFHDHMSCXILC-UHFFFAOYSA-N |