3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V003-4629 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-[(oxolan-2-yl)methyl]benzamide |
| Molecular Weight: | 511.69 |
| Molecular Formula: | C27 H37 N5 O3 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1cccc(c1)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.939 |
| logD: | 3.9384 |
| logSw: | -3.8839 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.439 |
| InChI Key: | QLYRYNUGYGIWGZ-JOCHJYFZSA-N |