2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | M179-3313 |
| Compound Name: | 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-(2,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 444.94 |
| Molecular Formula: | C21 H21 Cl N4 O3 S |
| Smiles: | COc1ccc(c(c1)NC(CSc1cc(NCc2ccc(cc2)[Cl])ncn1)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9246 |
| logD: | 3.9239 |
| logSw: | -4.4188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.565 |
| InChI Key: | MJJHVPIZCPDTHN-UHFFFAOYSA-N |