4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
Chemical Structure Depiction of
4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V026-5543 |
| Compound Name: | 4-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[2-(pyridin-2-yl)ethyl]benzamide |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C27 H32 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1ccc(cc1)C(NCCc1ccccn1)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3002 |
| logD: | 3.2998 |
| logSw: | -3.5019 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.665 |
| InChI Key: | MXDAHXGWPORSCV-UHFFFAOYSA-N |