methyl 4-{2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K615-0059 |
| Compound Name: | methyl 4-{2-[(6-{[4-anilino-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 612.73 |
| Molecular Formula: | C30 H28 N8 O3 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)Nc1nc(Nc2ccccc2)nc(n1)N1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.9203 |
| logD: | 7.9192 |
| logSw: | -5.6957 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.076 |
| InChI Key: | CWHZPVBOSCEDEE-UHFFFAOYSA-N |