methyl 4-{7-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Chemical Structure Depiction of
methyl 4-{7-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
methyl 4-{7-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Compound characteristics
| Compound ID: | 7238-1133 |
| Compound Name: | methyl 4-{7-[(2,5-dimethylphenyl)carbamoyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1ccc(C)c(c1)NC(C1C(c2ccc(cc2)C(=O)OC)Nn2c(C)nnc2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0316 |
| logD: | 3.0315 |
| logSw: | -3.2365 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.308 |
| InChI Key: | BGSTYROAZXWCJW-UHFFFAOYSA-N |