2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M142-0228 |
| Compound Name: | 2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[(4-fluorophenyl)methyl]acetamide |
| Molecular Weight: | 417.48 |
| Molecular Formula: | C17 H16 F N7 O S2 |
| Smiles: | CN(C)c1nc2c(c3nnc(n3cn2)SCC(NCc2ccc(cc2)F)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.0835 |
| logD: | 2.0835 |
| logSw: | -2.6833 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.202 |
| InChI Key: | VKXLGBRCDAWLBI-UHFFFAOYSA-N |