2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Chemical Structure Depiction of
2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide
Compound characteristics
| Compound ID: | K615-0056 |
| Compound Name: | 2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-fluorophenyl)acetamide |
| Molecular Weight: | 572.69 |
| Molecular Formula: | C28 H25 F N8 O S2 |
| Smiles: | C1CCN(C1)c1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)sc(n3)SCC(Nc2ccc(cc2)F)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.8586 |
| logD: | 7.8575 |
| logSw: | -6.0897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.903 |
| InChI Key: | JBUUMAGVIGJJKS-UHFFFAOYSA-N |