methyl 4-(2-{[2-(4-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Chemical Structure Depiction of
methyl 4-(2-{[2-(4-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
methyl 4-(2-{[2-(4-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate
Compound characteristics
| Compound ID: | F813-2939 |
| Compound Name: | methyl 4-(2-{[2-(4-methylpiperidin-1-yl)[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}acetamido)benzoate |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | CC1CCN(CC1)c1nc2c(c(ncn2)SCC(Nc2ccc(cc2)C(=O)OC)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 4.5441 |
| logD: | 4.544 |
| logSw: | -4.2711 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.546 |
| InChI Key: | RMVSAMGRCVJCEG-UHFFFAOYSA-N |