4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide
Chemical Structure Depiction of
4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide
4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide
Compound characteristics
| Compound ID: | V003-4419 |
| Compound Name: | 4-({[4-(4-acetylpiperazin-1-yl)-6-tert-butylpyrimidin-2-yl]sulfanyl}methyl)-N-benzylbenzamide |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C29 H35 N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(N1CCN(CC1)c1cc(C(C)(C)C)nc(n1)SCc1ccc(cc1)C(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0965 |
| logD: | 5.0959 |
| logSw: | -4.9466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.785 |
| InChI Key: | AYYSVWYCAUVZPE-UHFFFAOYSA-N |