8-(benzenesulfonyl)-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1232 |
| Compound Name: | 8-(benzenesulfonyl)-1-(thiophene-2-sulfonyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C18 H23 N3 O5 S3 |
| Smiles: | C1CN(CCC(NCCN(C1)S(c1cccs1)(=O)=O)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0967 |
| logD: | 1.0967 |
| logSw: | -2.2682 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.841 |
| InChI Key: | JPJXPDJZVYYECB-UHFFFAOYSA-N |