N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyrrolidin-1-yl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyrrolidin-1-yl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyrrolidin-1-yl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide
Compound characteristics
| Compound ID: | L331-0136 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-(pyrrolidin-1-yl)[1]benzofuro[3,2-d]pyrimidine-2-carboxamide |
| Molecular Weight: | 418.52 |
| Molecular Formula: | C23 H22 N4 O2 S |
| Smiles: | CSc1ccc(CNC(c2nc(c3c(c4ccccc4o3)n2)N2CCCC2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1549 |
| logD: | 5.1549 |
| logSw: | -5.1549 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.879 |
| InChI Key: | GKUHKECULZSNKR-UHFFFAOYSA-N |