N-methyl-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-methyl-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
N-methyl-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1831 |
| Compound Name: | N-methyl-1-(1-methyl-1H-imidazole-4-sulfonyl)-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 521.68 |
| Molecular Formula: | C24 H39 N7 O4 S |
| Smiles: | Cc1c(CCCN(C)C(C2CCCN(CCC(NCC2)=O)S(c2cn(C)cn2)(=O)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.3323 |
| logD: | -1.333 |
| logSw: | -1.6741 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.683 |
| InChI Key: | SUKGDHIIHFWCLK-FQEVSTJZSA-N |