2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | Y600-0087 |
| Compound Name: | 2-[(4-{[(4-chlorophenyl)sulfanyl]methyl}-6-hydroxypyrimidin-2-yl)sulfanyl]-N-(3,4-dimethoxyphenyl)acetamide |
| Molecular Weight: | 477.99 |
| Molecular Formula: | C21 H20 Cl N3 O4 S2 |
| Smiles: | COc1ccc(cc1OC)NC(CSc1nc(CSc2ccc(cc2)[Cl])cc(n1)O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3813 |
| logD: | 4.078 |
| logSw: | -4.4215 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.153 |
| InChI Key: | KHNCOKFJLMEYNO-UHFFFAOYSA-N |