methyl 4-(2-{[2-(dimethylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(dimethylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[2-(dimethylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F813-0014 |
| Compound Name: | methyl 4-(2-{[2-(dimethylamino)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 403.48 |
| Molecular Formula: | C17 H17 N5 O3 S2 |
| Smiles: | CN(C)c1nc2c(c(ncn2)SCC(Nc2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 3.0772 |
| logD: | 3.0771 |
| logSw: | -3.504 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.898 |
| InChI Key: | UMVCSLBJOWZIJU-UHFFFAOYSA-N |