methyl 2-[(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 2-[(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)carbamoyl]benzoate
methyl 2-[(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | G844-0460 |
| Compound Name: | methyl 2-[(6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3]thiazin-3-yl)carbamoyl]benzoate |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C14 H14 N4 O3 S |
| Smiles: | COC(c1ccccc1C(Nc1nnc2n1CCCS2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3216 |
| logD: | 1.3079 |
| logSw: | -2.3453 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.269 |
| InChI Key: | RXFDTAPJKWPKDW-UHFFFAOYSA-N |