N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-0221 |
| Compound Name: | N-{2-[4-(methylsulfanyl)phenyl]ethyl}-2-(1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 392.48 |
| Molecular Formula: | C21 H20 N4 O2 S |
| Smiles: | CSc1ccc(CCNC(CN2C(c3cc4ccccc4n3C=N2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.4564 |
| logD: | 2.4564 |
| logSw: | -3.1079 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.997 |
| InChI Key: | VFJQCDPLIYLBCG-UHFFFAOYSA-N |