1,8-di(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1,8-di(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one
1,8-di(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1228 |
| Compound Name: | 1,8-di(benzenesulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 451.56 |
| Molecular Formula: | C20 H25 N3 O5 S2 |
| Smiles: | C1CN(CCC(NCCN(C1)S(c1ccccc1)(=O)=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3052 |
| logD: | 1.3052 |
| logSw: | -2.2769 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.823 |
| InChI Key: | FSKFFPJEHBAQRH-UHFFFAOYSA-N |