N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-4-methyl-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-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C786-4550 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-2-(8-fluoro-4-methyl-1-oxo[1,2,4]triazino[4,5-a]indol-2(1H)-yl)acetamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C22 H22 F N5 O2 |
| Smiles: | CC1=NN(CC(NCc2ccc(cc2)N(C)C)=O)C(c2cc3cc(ccc3n12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7813 |
| logD: | 2.7659 |
| logSw: | -3.1833 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.652 |
| InChI Key: | OMCVFLOAFCABOA-UHFFFAOYSA-N |