N-{[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}glycine
Chemical Structure Depiction of
N-{[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}glycine
N-{[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}glycine
Compound characteristics
| Compound ID: | 5882-0352 |
| Compound Name: | N-{[1-(4-bromo-3-methylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}glycine |
| Molecular Weight: | 352.18 |
| Molecular Formula: | C14 H14 Br N3 O3 |
| Smiles: | CC1/C(=C/NCC(O)=O)C(N(c2ccc(c(C)c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0523 |
| logD: | -1.977 |
| logSw: | -2.0024 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.374 |
| InChI Key: | KPFGEQSOUJPLIT-UHFFFAOYSA-N |