1-[(3-fluoro-2-hydroxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(3-fluoro-2-hydroxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(3-fluoro-2-hydroxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1064 |
| Compound Name: | 1-[(3-fluoro-2-hydroxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 515.61 |
| Molecular Formula: | C25 H30 F N5 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)Cc1cccc(c1O)F)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8606 |
| logD: | 1.8094 |
| logSw: | -2.4535 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.934 |
| InChI Key: | GWEFKXHXYLAFAI-QFIPXVFZSA-N |