ethyl 3-[4-(3-cyanobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(3-cyanobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(3-cyanobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V017-6575 |
| Compound Name: | ethyl 3-[4-(3-cyanobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1cccc(C#N)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5604 |
| logD: | 3.5604 |
| logSw: | -3.7643 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 90.987 |
| InChI Key: | OZWLGZIOGBBWMT-UHFFFAOYSA-N |