8-(benzenesulfonyl)-1-(phenoxyacetyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(phenoxyacetyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(phenoxyacetyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1049 |
| Compound Name: | 8-(benzenesulfonyl)-1-(phenoxyacetyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C22 H27 N3 O5 S |
| Smiles: | C1CN(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.913 |
| logD: | 0.913 |
| logSw: | -2.2606 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.732 |
| InChI Key: | ADUFZNHAKSCPDU-UHFFFAOYSA-N |