ethyl 3-[4-(dichloroacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(dichloroacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(dichloroacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6258 |
| Compound Name: | ethyl 3-[4-(dichloroacetyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 411.29 |
| Molecular Formula: | C18 H20 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)C(C([Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1538 |
| logD: | 3.1538 |
| logSw: | -3.0303 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.14 |
| InChI Key: | JHJZHTYIYVXORH-UHFFFAOYSA-N |