ethyl 6-[4-(methoxycarbonyl)phenyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate
Chemical Structure Depiction of
ethyl 6-[4-(methoxycarbonyl)phenyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate
ethyl 6-[4-(methoxycarbonyl)phenyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate
Compound characteristics
| Compound ID: | 8017-1025 |
| Compound Name: | ethyl 6-[4-(methoxycarbonyl)phenyl]-3-methyl-6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxylate |
| Molecular Weight: | 362.41 |
| Molecular Formula: | C16 H18 N4 O4 S |
| Smiles: | [H]C1(c2ccc(cc2)C(=O)OC)C([H])(C(=O)OCC)Sc2nnc(C)n2N1[H] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0358 |
| logD: | 2.0358 |
| logSw: | -2.4875 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.668 |
| InChI Key: | KNVIYVKFELJOBP-UHFFFAOYSA-N |