1-(benzenesulfonyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1644 |
| Compound Name: | 1-(benzenesulfonyl)-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methyl-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 489.64 |
| Molecular Formula: | C24 H35 N5 O4 S |
| Smiles: | CCn1cc(CN(C)C(C2CCCN(CCC(NCC2)=O)S(c2ccccc2)(=O)=O)=O)c(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5473 |
| logD: | 0.5473 |
| logSw: | -2.3036 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.309 |
| InChI Key: | DBUNBOCBTBEJBH-FQEVSTJZSA-N |