methyl ({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate
Chemical Structure Depiction of
methyl ({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate
methyl ({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate
Compound characteristics
| Compound ID: | 5311-0249 |
| Compound Name: | methyl ({2-[3-(4-bromophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)acetate |
| Molecular Weight: | 477.38 |
| Molecular Formula: | C21 H21 Br N2 O4 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)[Br])=N1)c1ccc(cc1)OC)=O)SCC(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6027 |
| logD: | 4.6027 |
| logSw: | -4.3739 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.981 |
| InChI Key: | KDUBNOFJSVOKKI-LJQANCHMSA-N |