| MolName | 4-ethyl-2-[(E)-(10-ethylphenazin-2-ylidene)methyl]-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-4-ium |
| MolecularFormula | C24H23N4OS |
| Smiles | CCN(c(cccc1)c1N=C1C=C2)C1=C/C2=C/c1nc([n+](CC)c(cc2)OC)c2s1 |
| InChI | InChI=1S/C24H23N4OS/c1-4-27-19-9-7-6-8-17(19)25-18-11-10-16(14-20(18)27)15-22-26-24-21(30-22)12-13-23(29-3)28(24)5-2/h6-15H,4-5H2,1-3H3/q+1 |
| InChIK | YNTQXLVXWXNYRK-UHFFFAOYSA-N |
| TotalMolweight | 415.54 |
| Molweight | 415.54 |
| MonoisotopicMass | 415.159256 |
| CLogP | -0.0401 |
| CLogS | -5.103 |
| H Acceptors | 5 |
| TotalSurfaceArea | 316.11 |
| Relative PSA | 0.18712 |
| PolarSurfaceArea | 69.84 |
| Druglikeness | 3.1009 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 7 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 4-ethyl-2-[(E)-(10-ethylphenazin-2-ylidene)methyl]-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-4-ium | 2 - 4-ethyl-2-[(E)-(10-ethylphenazin-2-ylidene)methyl]-5-methoxy-[1,3]thiazolo[4,5-b]pyridin-4-ium