2-(2,4-dibromophenyl)-4-[(heptylimino)methyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Chemical Structure Depiction of
2-(2,4-dibromophenyl)-4-[(heptylimino)methyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one
2-(2,4-dibromophenyl)-4-[(heptylimino)methyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one
Compound characteristics
| Compound ID: | 8004-9331 |
| Compound Name: | 2-(2,4-dibromophenyl)-4-[(heptylimino)methyl]-5-methyl-1,2-dihydro-3H-pyrazol-3-one |
| Molecular Weight: | 457.21 |
| Molecular Formula: | C18 H23 Br2 N3 O |
| Smiles: | CCCCCCC/N=C/C1=C(C)NN(C1=O)c1ccc(cc1[Br])[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.7634 |
| logD: | 2.4089 |
| logSw: | -5.3091 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.363 |
| InChI Key: | HKYJKNSSDDCLST-UHFFFAOYSA-N |