1,4-bis(2-fluoro-4,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepane
Chemical Structure Depiction of
1,4-bis(2-fluoro-4,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepane
1,4-bis(2-fluoro-4,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepane
Compound characteristics
| Compound ID: | 8018-3807 |
| Compound Name: | 1,4-bis(2-fluoro-4,5-dimethoxybenzene-1-sulfonyl)-1,4-diazepane |
| Molecular Weight: | 536.57 |
| Molecular Formula: | C21 H26 F2 N2 O8 S2 |
| Smiles: | COc1cc(c(cc1OC)S(N1CCCN(CC1)S(c1cc(c(cc1F)OC)OC)(=O)=O)(=O)=O)F |
| Stereo: | ACHIRAL |
| logP: | 1.8737 |
| logD: | 1.8737 |
| logSw: | -2.1344 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 94.321 |
| InChI Key: | TWDQAGMHXUCVIE-UHFFFAOYSA-N |