5-[(4-tert-butylphenyl)methyl]-3-[(2-chlorophenoxy)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Chemical Structure Depiction of
5-[(4-tert-butylphenyl)methyl]-3-[(2-chlorophenoxy)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
5-[(4-tert-butylphenyl)methyl]-3-[(2-chlorophenoxy)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one
Compound characteristics
| Compound ID: | V024-5474 |
| Compound Name: | 5-[(4-tert-butylphenyl)methyl]-3-[(2-chlorophenoxy)methyl]-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6(7H)-one |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1ccc(CN2C(CSc3nnc(COc4ccccc4[Cl])n23)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6529 |
| logD: | 4.6529 |
| logSw: | -4.8018 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.748 |
| InChI Key: | XLBLNYSSLKVMPI-UHFFFAOYSA-N |