3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Chemical Structure Depiction of
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide
Compound characteristics
| Compound ID: | V028-2627 |
| Compound Name: | 3-({[4-(4-acetylpiperazin-1-yl)-6-ethylpyrimidin-2-yl]sulfanyl}methyl)-N-(2-methylpropyl)benzamide |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C24 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | CCc1cc(nc(n1)SCc1cccc(c1)C(NCC(C)C)=O)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1519 |
| logD: | 4.1515 |
| logSw: | -4.0721 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.552 |
| InChI Key: | TXJGFECETIMDNA-UHFFFAOYSA-N |