1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1071 |
| Compound Name: | 1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 577.71 |
| Molecular Formula: | C29 H35 N7 O4 S |
| Smiles: | Cn1cc(nc1)S(N1CCCN(CCNC(CC1c1ccccc1)=O)Cc1c[nH]nc1c1ccc(cc1)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8717 |
| logD: | 0.7473 |
| logSw: | -2.5371 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.189 |
| InChI Key: | HVXNEMSUXUXOFY-SANMLTNESA-N |