ethyl 6,7-dichloro-3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6387 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(2-ethylbutanoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 467.39 |
| Molecular Formula: | C22 H28 Cl2 N4 O3 |
| Salt: | not_available |
| Smiles: | CCC(CC)C(N1CCCN(CC1)c1c(C(=O)OCC)nc2cc(c(cc2n1)[Cl])[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6482 |
| logD: | 5.6482 |
| logSw: | -5.8931 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.14 |
| InChI Key: | CPIIOVQJDVFUQE-UHFFFAOYSA-N |