ethyl 3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6309 |
| Compound Name: | ethyl 3-[4-(4-pentylbenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 474.6 |
| Molecular Formula: | C28 H34 N4 O3 |
| Salt: | not_available |
| Smiles: | CCCCCc1ccc(cc1)C(N1CCCN(CC1)c1c(C(=O)OCC)nc2ccccc2n1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2148 |
| logD: | 6.2148 |
| logSw: | -5.4559 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.868 |
| InChI Key: | LOFPYVXZCZCFQR-UHFFFAOYSA-N |