ethyl 6,7-dichloro-3-[4-(3-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 6,7-dichloro-3-[4-(3-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 6,7-dichloro-3-[4-(3-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V001-5943 |
| Compound Name: | ethyl 6,7-dichloro-3-[4-(3-fluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 527.4 |
| Molecular Formula: | C22 H21 Cl2 F N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2cc(c(cc2n1)[Cl])[Cl])N1CCCN(CC1)S(c1cccc(c1)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4134 |
| logD: | 5.4134 |
| logSw: | -5.8841 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.931 |
| InChI Key: | SQDQAEGWFNVSCR-UHFFFAOYSA-N |