ethyl 3-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Chemical Structure Depiction of
ethyl 3-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
ethyl 3-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate
Compound characteristics
| Compound ID: | V001-5896 |
| Compound Name: | ethyl 3-{4-[2-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepan-1-yl}quinoxaline-2-carboxylate |
| Molecular Weight: | 508.52 |
| Molecular Formula: | C23 H23 F3 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCOC(c1c(nc2ccccc2n1)N1CCCN(CC1)S(c1ccccc1C(F)(F)F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7066 |
| logD: | 4.7066 |
| logSw: | -4.4301 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.931 |
| InChI Key: | YNPVXMIMSWUOPY-UHFFFAOYSA-N |