4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate
4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 4588-0050 |
| Compound Name: | 4-{[1-(3-bromophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 497.37 |
| Molecular Formula: | C23 H17 Br N2 O4 S |
| Smiles: | CC1/C(=C\c2ccc(c(c2)OC)OC(c2cccs2)=O)C(N(c2cccc(c2)[Br])N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3984 |
| logD: | 5.3984 |
| logSw: | -5.6195 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.7 |
| InChI Key: | MJFUWBKXPRDKAY-UHFFFAOYSA-N |