N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4231 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C21 H20 F N5 O2 |
| Smiles: | CN(C)c1ccc(CNC(CN2C(c3cc4cc(ccc4n3C=N2)F)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 2.1407 |
| logD: | 2.1253 |
| logSw: | -2.9332 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.96 |
| InChI Key: | QFTMSWUMJQXNDG-UHFFFAOYSA-N |