4-(3-{[(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Chemical Structure Depiction of
4-(3-{[(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
4-(3-{[(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid
Compound characteristics
| Compound ID: | 8008-8857 |
| Compound Name: | 4-(3-{[(3,5-diphenyl-4,5-dihydro-1H-pyrazol-1-yl)(imino)methyl]sulfanyl}-2,5-dioxopyrrolidin-1-yl)benzoic acid |
| Molecular Weight: | 498.56 |
| Molecular Formula: | C27 H22 N4 O4 S |
| Smiles: | C1C(c2ccccc2)N(C(=N)SC2CC(N(C2=O)c2ccc(cc2)C(O)=O)=O)N=C1c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1969 |
| logD: | 4.1969 |
| logSw: | -4.3049 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.382 |
| InChI Key: | IPYVDRZOMIZEKU-UHFFFAOYSA-N |