2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | M179-4024 |
| Compound Name: | 2-[(6-{[(4-chlorophenyl)methyl]amino}pyrimidin-4-yl)sulfanyl]-N-[(3-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Smiles: | COc1cccc(CNC(CSc2cc(NCc3ccc(cc3)[Cl])ncn2)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.0198 |
| logD: | 4.0195 |
| logSw: | -4.4775 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.955 |
| InChI Key: | WUXLAVMNEWWKQU-UHFFFAOYSA-N |