2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3,4-dihydroxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3,4-dihydroxyphenyl)ethan-1-one
2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3,4-dihydroxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | C036-0014 |
| Compound Name: | 2-[4-(4-bromobenzene-1-sulfonyl)-1,4-diazepan-1-yl]-1-(3,4-dihydroxyphenyl)ethan-1-one |
| Molecular Weight: | 469.35 |
| Molecular Formula: | C19 H21 Br N2 O5 S |
| Smiles: | C1CN(CCN(C1)S(c1ccc(cc1)[Br])(=O)=O)CC(c1ccc(c(c1)O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.589 |
| logD: | 2.4066 |
| logSw: | -2.7809 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.164 |
| InChI Key: | MIOFFUAYTXMYJQ-UHFFFAOYSA-N |