methyl 2-{2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
methyl 2-{2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | M447-0308 |
| Compound Name: | methyl 2-{2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]acetamido}benzoate |
| Molecular Weight: | 427.44 |
| Molecular Formula: | C18 H17 N7 O4 S |
| Smiles: | CN(C)c1nc2c(C3=NN(CC(Nc4ccccc4C(=O)OC)=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.7524 |
| logD: | 1.747 |
| logSw: | -2.7561 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.514 |
| InChI Key: | YHXIVZJGKIQFMK-UHFFFAOYSA-N |