8-(benzenesulfonyl)-1-[3-(4-methoxyphenyl)propanoyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[3-(4-methoxyphenyl)propanoyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[3-(4-methoxyphenyl)propanoyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1010 |
| Compound Name: | 8-(benzenesulfonyl)-1-[3-(4-methoxyphenyl)propanoyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 473.59 |
| Molecular Formula: | C24 H31 N3 O5 S |
| Smiles: | COc1ccc(CCC(N2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 1.7307 |
| logD: | 1.7307 |
| logSw: | -2.4139 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.776 |
| InChI Key: | ZSVMZBNAXOUKSS-UHFFFAOYSA-N |