3-({[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-({[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
3-({[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | V026-1863 |
| Compound Name: | 3-({[4-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanyl}methyl)-N-[(furan-2-yl)methyl]benzamide |
| Molecular Weight: | 527.69 |
| Molecular Formula: | C30 H33 N5 O2 S |
| Salt: | not_available |
| Smiles: | Cc1c(C)nc(nc1N1CCN(CC1)Cc1ccccc1)SCc1cccc(c1)C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6406 |
| logD: | 5.2503 |
| logSw: | -5.4532 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.925 |
| InChI Key: | KVHLTHQBDFFOHY-UHFFFAOYSA-N |