ethyl 6,7-dichloro-3-[4-(5-nitrofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(5-nitrofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(5-nitrofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6336 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(5-nitrofuran-2-carbonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 508.32 |
| Molecular Formula: | C21 H19 Cl2 N5 O6 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)C(c1ccc([N+]([O-])=O)o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4439 |
| logD: | 4.4439 |
| logSw: | -4.5045 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 101.529 |
| InChI Key: | BCIBMDBJTCWXJL-UHFFFAOYSA-N |