2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-4-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Chemical Structure Depiction of
2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-4-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-4-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one
Compound characteristics
| Compound ID: | C786-4494 |
| Compound Name: | 2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-4-methyl[1,2,4]triazino[4,5-a]indol-1(2H)-one |
| Molecular Weight: | 356.4 |
| Molecular Formula: | C19 H21 F N4 O2 |
| Smiles: | CC1=NN(CC(N2CCCCCC2)=O)C(c2cc3cc(ccc3n12)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5592 |
| logD: | 2.5591 |
| logSw: | -2.808 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 46.099 |
| InChI Key: | GHWNCCYVOMPEHF-UHFFFAOYSA-N |