8-(benzenesulfonyl)-1-[(2,3-dimethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-[(2,3-dimethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-[(2,3-dimethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-1128 |
| Compound Name: | 8-(benzenesulfonyl)-1-[(2,3-dimethoxyphenyl)methyl]-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C23 H31 N3 O5 S |
| Smiles: | COc1cccc(CN2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 1.9091 |
| logD: | 0.7437 |
| logSw: | -2.6344 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.192 |
| InChI Key: | IOZDNGSKTDHWGD-UHFFFAOYSA-N |