3-[(4-tert-butylphenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
3-[(4-tert-butylphenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
3-[(4-tert-butylphenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V023-7329 |
| Compound Name: | 3-[(4-tert-butylphenoxy)methyl]-5-{[4-(propan-2-yl)phenyl]methyl}-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 450.6 |
| Molecular Formula: | C25 H30 N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)c1ccc(CN2C(CSc3nnc(COc4ccc(cc4)C(C)(C)C)n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.5964 |
| logD: | 5.5964 |
| logSw: | -5.3938 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.661 |
| InChI Key: | YVWHSWZIZZZNRE-UHFFFAOYSA-N |