5-methoxy-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium
Chemical Structure Depiction of
5-methoxy-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium
5-methoxy-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium
Compound characteristics
| Compound ID: | 7771-0752 |
| Compound Name: | 5-methoxy-3-methyl-2-[(1-methylquinolin-2(1H)-ylidene)methyl]-1,3-benzothiazol-3-ium |
| Molecular Weight: | 462.35 |
| Molecular Formula: | C20 H19 N2 O S |
| Salt: | I- |
| Smiles: | CN1C(\C=Cc2ccccc12)=C\c1[n+](C)c2cc(ccc2s1)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8544 |
| logD: | 4.8544 |
| logSw: | -4.6506 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 10.4446 |
| InChI Key: | DDBIHTFJHYYLKZ-UHFFFAOYSA-N |