2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)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-ethoxyphenyl)acetamide
2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | K615-0055 |
| 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-ethoxyphenyl)acetamide |
| Molecular Weight: | 598.75 |
| Molecular Formula: | C30 H30 N8 O2 S2 |
| Smiles: | CCOc1ccc(cc1)NC(CSc1nc2ccc(cc2s1)Nc1nc(Nc2ccccc2)nc(n1)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.1985 |
| logD: | 8.1975 |
| logSw: | -5.6223 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.026 |
| InChI Key: | ZEEPYOVDHYJHED-UHFFFAOYSA-N |