1-(1-ethyl-1H-pyrazole-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
1-(1-ethyl-1H-pyrazole-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
1-(1-ethyl-1H-pyrazole-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-1016 |
| Compound Name: | 1-(1-ethyl-1H-pyrazole-3-carbonyl)-8-(1-methyl-1H-imidazole-4-sulfonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 513.62 |
| Molecular Formula: | C24 H31 N7 O4 S |
| Smiles: | CCn1ccc(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)S(c2cn(C)cn2)(=O)=O)=O)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.0296 |
| logD: | -0.0296 |
| logSw: | -2.2647 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.756 |
| InChI Key: | BPTCOBYHAYZLCT-NRFANRHFSA-N |