N-{[4-(methylsulfanyl)phenyl]methyl}-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)propanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)propanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)propanamide
Compound characteristics
| Compound ID: | S372-0796 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-3-(1-oxo-7,8,9,10-tetrahydropyrazino[1,2-b]indazol-2(1H)-yl)propanamide |
| Molecular Weight: | 396.51 |
| Molecular Formula: | C21 H24 N4 O2 S |
| Smiles: | CSc1ccc(CNC(CCN2C=Cn3c(C2=O)c2CCCCc2n3)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.0967 |
| logD: | 2.0967 |
| logSw: | -2.6734 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.889 |
| InChI Key: | DXRAXQQALRKDJD-UHFFFAOYSA-N |