4-(4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Chemical Structure Depiction of
4-(4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
4-(4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide
Compound characteristics
| Compound ID: | 3172-0755 |
| Compound Name: | 4-(4-{[4-(benzyloxy)-3-bromo-5-methoxyphenyl]methylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzene-1-sulfonamide |
| Molecular Weight: | 556.43 |
| Molecular Formula: | C25 H22 Br N3 O5 S |
| Smiles: | CC1/C(=C/c2cc(c(c(c2)[Br])OCc2ccccc2)OC)C(N(c2ccc(cc2)S(N)(=O)=O)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0428 |
| logD: | 4.0417 |
| logSw: | -4.4488 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.221 |
| InChI Key: | LGADFVWORRVQSW-UHFFFAOYSA-N |