1-(benzenesulfonyl)-N-methyl-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-N-methyl-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-N-methyl-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1634 |
| Compound Name: | 1-(benzenesulfonyl)-N-methyl-4-oxo-N-[3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 517.69 |
| Molecular Formula: | C26 H39 N5 O4 S |
| Smiles: | Cc1c(CCCN(C)C(C2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.3669 |
| logD: | 0.3662 |
| logSw: | -2.2694 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.272 |
| InChI Key: | WDGMPEHOEDUTBP-QFIPXVFZSA-N |