8-(benzenesulfonyl)-1-[(2-ethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(2-ethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(2-ethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1126 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(2-ethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 445.58 |
| Molecular Formula: | C23 H31 N3 O4 S |
| Smiles: | CCOc1ccccc1CN1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3775 |
| logD: | 1.8287 |
| logSw: | -2.7716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.055 |
| InChI Key: | PBIQJSMKRLDSRI-UHFFFAOYSA-N |