1-[(2-ethoxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-[(2-ethoxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-[(2-ethoxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1037 |
| Compound Name: | 1-[(2-ethoxyphenyl)methyl]-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 525.67 |
| Molecular Formula: | C27 H35 N5 O4 S |
| Smiles: | CCOc1ccccc1CN1CCCN(C(CC(NCC1)=O)c1ccccc1)S(c1cn(C)cn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2529 |
| logD: | 1.76 |
| logSw: | -2.6842 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.665 |
| InChI Key: | LHDPKHKRGCOBAA-DEOSSOPVSA-N |