1-[3-(4-methoxyphenyl)propanoyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[3-(4-methoxyphenyl)propanoyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[3-(4-methoxyphenyl)propanoyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0928 |
| Compound Name: | 1-[3-(4-methoxyphenyl)propanoyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 553.68 |
| Molecular Formula: | C28 H35 N5 O5 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(CCc1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6061 |
| logD: | 1.6061 |
| logSw: | -2.4347 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.387 |
| InChI Key: | ANYCECUSLKWJFH-VWLOTQADSA-N |