1-(benzenesulfonyl)-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(benzenesulfonyl)-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
1-(benzenesulfonyl)-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1648 |
| Compound Name: | 1-(benzenesulfonyl)-4-oxo-N-[3-(1H-pyrazol-1-yl)propyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccccc1)(=O)=O)=O)C(NCCCn1cccn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2454 |
| logD: | -0.2454 |
| logSw: | -2.0152 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.332 |
| InChI Key: | FMCVHUYQLACEHY-IBGZPJMESA-N |