methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Chemical Structure Depiction of
methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate
Compound characteristics
| Compound ID: | K615-0045 |
| Compound Name: | methyl 4-{2-[(6-{[4,6-bis(morpholin-4-yl)-1,3,5-triazin-2-yl]amino}-1,3-benzothiazol-2-yl)sulfanyl]acetamido}benzoate |
| Molecular Weight: | 622.72 |
| Molecular Formula: | C28 H30 N8 O5 S2 |
| Smiles: | COC(c1ccc(cc1)NC(CSc1nc2ccc(cc2s1)Nc1nc(nc(n1)N1CCOCC1)N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8342 |
| logD: | 5.8327 |
| logSw: | -5.4897 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.86 |
| InChI Key: | LGGCQWPXTURWDG-UHFFFAOYSA-N |