ethyl 6,7-dichloro-3-[4-(4-ethoxy-4-oxobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(4-ethoxy-4-oxobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(4-ethoxy-4-oxobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6372 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(4-ethoxy-4-oxobutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 497.38 |
| Molecular Formula: | C22 H26 Cl2 N4 O5 |
| Salt: | not_available |
| Smiles: | CCOC(CCC(N1CCCN(CC1)c1c(C(=O)OCC)nc2cc(c(cc2n1)[Cl])[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0944 |
| logD: | 4.0944 |
| logSw: | -4.2775 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.771 |
| InChI Key: | XCWULGSXBGECNR-UHFFFAOYSA-N |