2-[(5-methoxy-3-propyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methyl-1-propylquinolin-1-ium--iodide (1/1)
Chemical Structure Depiction of
2-[(5-methoxy-3-propyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methyl-1-propylquinolin-1-ium--iodide (1/1)
2-[(5-methoxy-3-propyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methyl-1-propylquinolin-1-ium--iodide (1/1)
Compound characteristics
| Compound ID: | 4890-0294 |
| Compound Name: | 2-[(5-methoxy-3-propyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-6-methyl-1-propylquinolin-1-ium--iodide (1/1) |
| Molecular Weight: | 532.49 |
| Molecular Formula: | C25 H29 N2 O S |
| Salt: | I- |
| Smiles: | CCCN1/C(=C/c2ccc3cc(C)ccc3[n+]2CCC)Sc2ccc(cc12)OC |
| Stereo: | ACHIRAL |
| logP: | 7.6241 |
| logD: | 7.6241 |
| logSw: | -5.9515 |
| Hydrogen bond acceptors count: | 2 |
| Polar surface area: | 9.34 |
| InChI Key: | AIPWUINGUYKDCP-UHFFFAOYSA-N |