N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8010-6339 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 506.56 |
| Molecular Formula: | C23 H18 N6 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nnc(N2C(c3ccccc3C2=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7879 |
| logD: | 1.7523 |
| logSw: | -2.7155 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.819 |
| InChI Key: | JLNRUUBTJRPHNA-UHFFFAOYSA-N |