N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamide
N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | G987-0051 |
| Compound Name: | N-[3-(methylsulfanyl)phenyl]-2-(1-oxo-7,8,9,10-tetrahydro[1,2,4]triazino[4,5-b]indazol-2(1H)-yl)acetamide |
| Molecular Weight: | 369.44 |
| Molecular Formula: | C18 H19 N5 O2 S |
| Smiles: | CSc1cccc(c1)NC(CN1C(c2c3CCCCc3nn2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0376 |
| logD: | 2.0367 |
| logSw: | -2.9135 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.763 |
| InChI Key: | CSSHAMURHNMWTJ-UHFFFAOYSA-N |