ethyl 3-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
ethyl 3-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-8495 |
| Compound Name: | ethyl 3-{4-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate |
| Molecular Weight: | 554.43 |
| Molecular Formula: | C27 H25 Cl2 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)C(c1c(c2c(cccc2[Cl])[Cl])noc1C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9868 |
| logD: | 4.9868 |
| logSw: | -5.2093 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 80.828 |
| InChI Key: | FUIVITINXXVNHQ-UHFFFAOYSA-N |