8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0967 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(phenoxyacetyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 525.63 |
| Molecular Formula: | C26 H31 N5 O5 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)C(COc1ccccc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.7883 |
| logD: | 0.7883 |
| logSw: | -2.228 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.342 |
| InChI Key: | JIUBZDODZAZSHY-QHCPKHFHSA-N |