methyl 3-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)propanoate
Chemical Structure Depiction of
methyl 3-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)propanoate
methyl 3-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | 5311-0252 |
| Compound Name: | methyl 3-({2-[3-(4-bromophenyl)-5-(2,3-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}sulfanyl)propanoate |
| Molecular Weight: | 521.43 |
| Molecular Formula: | C23 H25 Br N2 O5 S |
| Smiles: | [H]C(C(N1C(CC(c2ccc(cc2)[Br])=N1)c1cccc(c1OC)OC)=O)SCCC(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7215 |
| logD: | 4.7215 |
| logSw: | -4.5527 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 62.785 |
| InChI Key: | RBUYUWKEAUUFEF-LJQANCHMSA-N |