1-(azepan-1-yl)-2-[3,4-di(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]ethan-1-one
Chemical Structure Depiction of
1-(azepan-1-yl)-2-[3,4-di(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]ethan-1-one
1-(azepan-1-yl)-2-[3,4-di(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | E975-0475 |
| Compound Name: | 1-(azepan-1-yl)-2-[3,4-di(pyrrolidine-1-sulfonyl)-1H-pyrrol-1-yl]ethan-1-one |
| Molecular Weight: | 472.62 |
| Molecular Formula: | C20 H32 N4 O5 S2 |
| Smiles: | C1CCCN(CC1)C(Cn1cc(c(c1)S(N1CCCC1)(=O)=O)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.136 |
| logD: | 1.136 |
| logSw: | -1.8153 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.713 |
| InChI Key: | RWTOADUOCJYFMO-UHFFFAOYSA-N |