potassium--3-[5-methoxy-2-(2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate (1/1)
Chemical Structure Depiction of
potassium--3-[5-methoxy-2-(2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate (1/1)
potassium--3-[5-methoxy-2-(2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate (1/1)
Compound characteristics
| Compound ID: | 2324-0236 |
| Compound Name: | potassium--3-[5-methoxy-2-(2-{[5-phenyl-3-(3-sulfonatopropyl)-1,3-benzothiazol-2(3H)-ylidene]methyl}but-1-en-1-yl)-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate (1/1) |
| Molecular Weight: | 724.98 |
| Molecular Formula: | C32 H33 N2 O7 S4 |
| Salt: | K+ |
| Smiles: | CC/C(=C\c1[n+](CCCS([O-])(=O)=O)c2cc(ccc2s1)OC)/C=C1/N(CCCS([O-])(=O)=O)c2cc(ccc2S1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.1319 |
| logD: | 4.1319 |
| logSw: | -4.2355 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 96.041 |
| InChI Key: | AAAPBIAYTDJKAQ-UHFFFAOYSA-M |