8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Chemical Structure Depiction of
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one
Compound characteristics
| Compound ID: | S791-0956 |
| Compound Name: | 8-(1-methyl-1H-imidazole-4-sulfonyl)-1-(4-methyl-1,3-oxazole-5-carbonyl)-7-phenyl-1,4,8-triazacycloundecan-5-one |
| Molecular Weight: | 500.58 |
| Molecular Formula: | C23 H28 N6 O5 S |
| Smiles: | Cc1c(C(N2CCCN(C(CC(NCC2)=O)c2ccccc2)S(c2cn(C)cn2)(=O)=O)=O)ocn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.1431 |
| logD: | -0.1431 |
| logSw: | -2.1709 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.285 |
| InChI Key: | HZWCFXAKVVICJM-IBGZPJMESA-N |