ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6236 |
| Compound Name: | ethyl 3-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 460.58 |
| Molecular Formula: | C27 H32 N4 O3 |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)C(c1ccc(cc1)C(C)(C)C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4856 |
| logD: | 5.4856 |
| logSw: | -5.4297 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.868 |
| InChI Key: | MAHQARGKVXSIOG-UHFFFAOYSA-N |