2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[4-(methanesulfonyl)phenyl]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-(methanesulfonyl)phenyl]acetamide
2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[4-(methanesulfonyl)phenyl]acetamide
Compound characteristics
| Compound ID: | M142-0266 |
| Compound Name: | 2-{[8-(dimethylamino)[1,3]thiazolo[5,4-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl]sulfanyl}-N-[4-(methanesulfonyl)phenyl]acetamide |
| Molecular Weight: | 463.56 |
| Molecular Formula: | C17 H17 N7 O3 S3 |
| Smiles: | CN(C)c1nc2c(c3nnc(n3cn2)SCC(Nc2ccc(cc2)S(C)(=O)=O)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 1.19 |
| logD: | 1.1899 |
| logSw: | -2.3426 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.629 |
| InChI Key: | DKEAPTBKSZBNPH-UHFFFAOYSA-N |