3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-7516 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-3-yl)methyl]benzamide |
| Molecular Weight: | 490.63 |
| Molecular Formula: | C26 H30 N6 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCc1cccnc1)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3388 |
| logD: | 3.3385 |
| logSw: | -3.2765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.798 |
| InChI Key: | XZEIQCXQTHFLKM-UHFFFAOYSA-N |