ethyl 6,7-dichloro-3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-8497 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 543.49 |
| Molecular Formula: | C28 H32 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(N1CCCN(CC1)c1c(C(=O)OCC)nc2cc(c(cc2n1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.6193 |
| logD: | 7.6193 |
| logSw: | -6.4852 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.868 |
| InChI Key: | SIBKEMKGZUSCEG-UHFFFAOYSA-N |