2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)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-bromophenyl)acetamide
2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Compound characteristics
| Compound ID: | K615-0057 |
| 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-bromophenyl)acetamide |
| Molecular Weight: | 633.59 |
| Molecular Formula: | C28 H25 Br N8 O S2 |
| Smiles: | C1CCN(C1)c1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)sc(n3)SCC(Nc2ccc(cc2)[Br])=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 8.6634 |
| logD: | 8.6623 |
| logSw: | -6.0985 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.903 |
| InChI Key: | KDCCWJBZLFMIAA-UHFFFAOYSA-N |