N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide
N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | S372-1429 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-4-[(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)methyl]benzamide |
| Molecular Weight: | 458.58 |
| Molecular Formula: | C26 H26 N4 O2 S |
| Smiles: | CSc1ccc(CNC(c2ccc(CN3C=Cn4c(C3=O)c3CCCCc3n4)cc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.0581 |
| logD: | 3.0581 |
| logSw: | -3.4245 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.853 |
| InChI Key: | NMDSTAQBNKTZFS-UHFFFAOYSA-N |