N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8009-1180 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 555.63 |
| Molecular Formula: | C28 H21 N5 O4 S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(CSc1nc2ccc(cc2s1)N1C(c2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.292 |
| logD: | 3.2584 |
| logSw: | -3.7483 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.22 |
| InChI Key: | XCDQMBJWTPRNFF-UHFFFAOYSA-N |