ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6350 |
| Compound Name: | ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-6,7-dichloroquinoxaline-2-carboxylate |
| Molecular Weight: | 529.47 |
| Molecular Formula: | C27 H30 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8901 |
| logD: | 6.8901 |
| logSw: | -6.4088 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.868 |
| InChI Key: | BRLOQHZXPVBFBJ-UHFFFAOYSA-N |