ethyl 3-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V010-9936 |
| Compound Name: | ethyl 3-[4-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 496.38 |
| Molecular Formula: | C20 H19 F7 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)C(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6816 |
| logD: | 4.6816 |
| logSw: | -4.2878 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.14 |
| InChI Key: | LCPVYPCGOSXPHX-UHFFFAOYSA-N |