1-(benzenesulfonyl)-8-(cyclopropanecarbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(benzenesulfonyl)-8-(cyclopropanecarbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(benzenesulfonyl)-8-(cyclopropanecarbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0540 |
| Compound Name: | 1-(benzenesulfonyl)-8-(cyclopropanecarbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 455.58 |
| Molecular Formula: | C24 H29 N3 O4 S |
| Smiles: | C1CN(C(CC(NCCN(C1)S(c1ccccc1)(=O)=O)=O)c1ccccc1)C(C1CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1951 |
| logD: | 2.1951 |
| logSw: | -2.7608 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.706 |
| InChI Key: | RIIKJVJUDZNRIB-JOCHJYFZSA-N |