N-benzyl-1-(1-methyl-1H-pyrazole-5-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(1-methyl-1H-pyrazole-5-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-(1-methyl-1H-pyrazole-5-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0827 |
| Compound Name: | N-benzyl-1-(1-methyl-1H-pyrazole-5-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C22 H29 N5 O3 |
| Smiles: | Cn1c(ccn1)C(N1CCCC(CCNC(CC1)=O)C(NCc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4663 |
| logD: | -0.4664 |
| logSw: | -1.4393 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.305 |
| InChI Key: | QURYCFXJGVFMAO-SFHVURJKSA-N |