2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Chemical Structure Depiction of
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide
Compound characteristics
| Compound ID: | M460-3108 |
| Compound Name: | 2-[8-(azepan-1-yl)-3-oxo[1,2,4]triazolo[4,3-a]pyrazin-2(3H)-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}acetamide |
| Molecular Weight: | 426.54 |
| Molecular Formula: | C21 H26 N6 O2 S |
| Smiles: | CSc1ccc(CNC(CN2C(N3C=CN=C(C3=N2)N2CCCCCC2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4473 |
| logD: | 2.4473 |
| logSw: | -2.704 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.862 |
| InChI Key: | CHHVVVBLZADYGB-UHFFFAOYSA-N |