2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-benzylacetamide
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-benzylacetamide
2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-benzylacetamide
Compound characteristics
| Compound ID: | K615-0058 |
| Compound Name: | 2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-benzylacetamide |
| Molecular Weight: | 568.72 |
| Molecular Formula: | C29 H28 N8 O S2 |
| Smiles: | C1CCN(C1)c1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)sc(n3)SCC(NCc2ccccc2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 7.5109 |
| logD: | 7.5099 |
| logSw: | -6.0372 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.225 |
| InChI Key: | ACLVREBKZNTHRD-UHFFFAOYSA-N |