3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-7540 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 483.63 |
| Molecular Formula: | C25 H33 N5 O3 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCC1CCCO1)=O)N1CCN(CC1)C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1172 |
| logD: | 3.1168 |
| logSw: | -3.2765 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.935 |
| InChI Key: | IEGKOMOMBCPGOE-JOCHJYFZSA-N |