5-({[4-(4-acetylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
5-({[4-(4-acetylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-2-carboxamide
5-({[4-(4-acetylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | V027-7521 |
| Compound Name: | 5-({[4-(4-acetylpiperazin-1-yl)-6-(propan-2-yl)pyrimidin-2-yl]sulfanyl}methyl)-N-[(pyridin-2-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 494.62 |
| Molecular Formula: | C25 H30 N6 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1ccc(C(NCc2ccccn2)=O)o1)N1CCN(CC1)C(C)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8441 |
| logD: | 3.8438 |
| logSw: | -3.8501 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.17 |
| InChI Key: | GRKLPPSBDGNABA-UHFFFAOYSA-N |