8-(benzenesulfonyl)-1-(2-phenylpropanoyl)-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(benzenesulfonyl)-1-(2-phenylpropanoyl)-1,4,8-triazacycloundecan-5-one
8-(benzenesulfonyl)-1-(2-phenylpropanoyl)-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S764-0967 |
| Compound Name: | 8-(benzenesulfonyl)-1-(2-phenylpropanoyl)-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 443.56 |
| Molecular Formula: | C23 H29 N3 O4 S |
| Smiles: | CC(C(N1CCCN(CCC(NCC1)=O)S(c1ccccc1)(=O)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0949 |
| logD: | 2.0949 |
| logSw: | -2.7319 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.76 |
| InChI Key: | KOTBIGIJFLWCRG-LJQANCHMSA-N |