6-hydroxy-4-(3-methyl-1H-pyrazole-5-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
Chemical Structure Depiction of
6-hydroxy-4-(3-methyl-1H-pyrazole-5-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
6-hydroxy-4-(3-methyl-1H-pyrazole-5-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-1020 |
| Compound Name: | 6-hydroxy-4-(3-methyl-1H-pyrazole-5-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one |
| Molecular Weight: | 342.4 |
| Molecular Formula: | C18 H22 N4 O3 |
| Smiles: | Cc1cc(C(N2CC(CN(CCc3ccccc3)C(C2)=O)O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.573 |
| logD: | 0.5729 |
| logSw: | -1.9807 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.991 |
| InChI Key: | QNYLMIREOAIAKV-OAHLLOKOSA-N |