methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-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-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate
Compound characteristics
| Compound ID: | 7238-1708 |
| Compound Name: | methyl 4-{7-[(2,6-dimethylphenyl)carbamoyl]-3-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl}benzoate |
| Molecular Weight: | 499.59 |
| Molecular Formula: | C27 H25 N5 O3 S |
| Smiles: | Cc1cccc(C)c1NC(C1C(c2ccc(cc2)C(=O)OC)Nn2c(c3ccccc3)nnc2S1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.9984 |
| logD: | 4.9984 |
| logSw: | -4.703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.561 |
| InChI Key: | VFDZUQVSWMFFDG-UHFFFAOYSA-N |