2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M447-0369 |
| Compound Name: | 2-[8-(dimethylamino)-3-oxo[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-2(3H)-yl]-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 401.42 |
| Molecular Formula: | C17 H16 F N7 O2 S |
| Smiles: | CN(C)c1nc2c(C3=NN(CC(NCc4ccc(cc4)F)=O)C(N3C=N2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.6347 |
| logD: | 1.6332 |
| logSw: | -2.5126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.36 |
| InChI Key: | ZYFYTKVDSIAQSZ-UHFFFAOYSA-N |