2-[(5,5-dimethyl-3-{2-[methyl(phenyl)amino]ethenyl}cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
Chemical Structure Depiction of
2-[(5,5-dimethyl-3-{2-[methyl(phenyl)amino]ethenyl}cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
2-[(5,5-dimethyl-3-{2-[methyl(phenyl)amino]ethenyl}cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium
Compound characteristics
| Compound ID: | 8013-5737 |
| Compound Name: | 2-[(5,5-dimethyl-3-{2-[methyl(phenyl)amino]ethenyl}cyclohex-2-en-1-ylidene)methyl]-3-ethyl-1,3-benzothiazol-3-ium |
| Molecular Weight: | 542.53 |
| Molecular Formula: | C27 H31 N2 S |
| Salt: | I- |
| Smiles: | CC[n+]1c2ccccc2sc1\C=C1/CC(C)(C)CC(/C=C/N(C)c2ccccc2)=C1 |
| Stereo: | ACHIRAL |
| logP: | 6.5867 |
| logD: | 6.5848 |
| logSw: | -6.0516 |
| Polar surface area: | 3.491 |
| InChI Key: | PNRAEZWZTOAGRR-UHFFFAOYSA-N |