ethyl 3-[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
ethyl 3-[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V008-1077 |
| Compound Name: | ethyl 3-[4-(2,3,4,5,6-pentafluorobenzene-1-sulfonyl)-1,4-diazepan-1-yl]quinoxaline-2-carboxylate |
| Molecular Weight: | 530.47 |
| Molecular Formula: | C22 H19 F5 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1c(c(c(c(c1F)F)F)F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.281 |
| logD: | 4.281 |
| logSw: | -4.0899 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.931 |
| InChI Key: | YZPZXYRFQAPAFO-UHFFFAOYSA-N |