8-(benzenesulfonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1234 |
| Compound Name: | 8-(benzenesulfonyl)-1-(1-methyl-1H-imidazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C18 H25 N5 O5 S2 |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | -0.394 |
| logD: | -0.394 |
| logSw: | -2.1191 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.234 |
| InChI Key: | WGBNNSOCWXLJFG-UHFFFAOYSA-N |