4-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
4-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
4-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | L331-0755 |
| Compound Name: | 4-(azepan-1-yl)-N-{[4-(methylsulfanyl)phenyl]methyl}[1]benzofuro[3,2-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 446.57 |
| Molecular Formula: | C25 H26 N4 O2 S |
| Smiles: | CSc1ccc(CNC(c2nc(c3c(c4ccccc4o3)n2)N2CCCCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.0674 |
| logD: | 6.0656 |
| logSw: | -5.6183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.844 |
| InChI Key: | LYCLGMYNWUZYLV-UHFFFAOYSA-N |