methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate
methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | 6218-0011 |
| Compound Name: | methyl 2-{2-[(4,6-diaminopyrimidin-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 333.37 |
| Molecular Formula: | C14 H15 N5 O3 S |
| Smiles: | COC(c1ccccc1NC(CSc1nc(cc(N)n1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.229 |
| logD: | 1.216 |
| logSw: | -2.4583 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 102.158 |
| InChI Key: | MAOXUGRAIRXBQM-UHFFFAOYSA-N |