ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Chemical Structure Depiction of
ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate
Compound characteristics
| Compound ID: | 3852-0211 |
| Compound Name: | ethyl 5-tert-butyl-5-hydroxy-1-(3-nitrobenzoyl)-4,5-dihydro-1H-pyrazole-3-carboxylate |
| Molecular Weight: | 363.37 |
| Molecular Formula: | C17 H21 N3 O6 |
| Smiles: | CCOC(C1CC(C(C)(C)C)(N(C(c2cccc(c2)[N+]([O-])=O)=O)N=1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.553 |
| logD: | 2.553 |
| logSw: | -2.4812 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.925 |
| InChI Key: | NVGKDOGFYAEOJF-KRWDZBQOSA-N |