8-(benzenesulfonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1244 |
| Compound Name: | 8-(benzenesulfonyl)-1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C19 H26 N4 O6 S2 |
| Smiles: | Cc1c(c(C)on1)S(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1992 |
| logD: | 0.1992 |
| logSw: | -2.2429 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 110.861 |
| InChI Key: | CMUPDAUFNMSIQV-UHFFFAOYSA-N |