ethyl 3-[4-(3-cyanobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(3-cyanobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(3-cyanobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V002-6233 |
| Compound Name: | ethyl 3-[4-(3-cyanobenzoyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 429.48 |
| Molecular Formula: | C24 H23 N5 O3 |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)C(c1cccc(C#N)c1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2283 |
| logD: | 3.2283 |
| logSw: | -3.2606 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 75.924 |
| InChI Key: | HADBLAQNWKBDPY-UHFFFAOYSA-N |