3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V024-5096 |
| Compound Name: | 3-[({4-[4-(4-methoxyphenyl)piperazin-1-yl]-5,6-dimethylpyrimidin-2-yl}sulfanyl)methyl]-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 554.71 |
| Molecular Formula: | C31 H34 N6 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)c1ccc(cc1)OC)SCc1cccc(c1)C(NCc1ccccn1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.403 |
| logD: | 5.4012 |
| logSw: | -5.4386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.983 |
| InChI Key: | NLFRVKKMGDFGME-UHFFFAOYSA-N |