4-(4-bromobenzoyl)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
4-(4-bromobenzoyl)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
4-(4-bromobenzoyl)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 0974-0035 |
| Compound Name: | 4-(4-bromobenzoyl)-2-hexyl-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 365.27 |
| Molecular Formula: | C17 H21 Br N2 O2 |
| Smiles: | CCCCCCN1C(C(C(C)=N1)C(c1ccc(cc1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6128 |
| logD: | 2.0798 |
| logSw: | -4.2888 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 40.994 |
| InChI Key: | FMACUHSDWFYPQZ-OAHLLOKOSA-N |