3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylbenzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylbenzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylbenzamide
Compound characteristics
| Compound ID: | V028-2639 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-benzyl-N-methylbenzamide |
| Molecular Weight: | 503.67 |
| Molecular Formula: | C28 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(N(C)Cc1ccccc1)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7058 |
| logD: | 4.7054 |
| logSw: | -4.4643 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.017 |
| InChI Key: | SUPGBYLUDMYEDL-UHFFFAOYSA-N |