4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
Chemical Structure Depiction of
4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one
Compound characteristics
| Compound ID: | SA85-1107 |
| Compound Name: | 4-[3-(3,4-dimethylphenyl)-1H-pyrazole-5-carbonyl]-6-hydroxy-1-(2-methylpropyl)-1,4-diazepan-2-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CC(C)CN1CC(CN(CC1=O)C(c1cc(c2ccc(C)c(C)c2)n[nH]1)=O)O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8519 |
| logD: | 2.8516 |
| logSw: | -3.055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.206 |
| InChI Key: | PTMRHFSOVRHJPT-QGZVFWFLSA-N |