2-{[4,5-diphenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
Chemical Structure Depiction of
2-{[4,5-diphenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
2-{[4,5-diphenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 7165-0758 |
| Compound Name: | 2-{[4,5-diphenyl-3-(prop-2-en-1-yl)-1,3-thiazol-2(3H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium--bromide (1/1) |
| Molecular Weight: | 519.52 |
| Molecular Formula: | C27 H23 N2 S2 |
| Salt: | Br- |
| Smiles: | C[n+]1c2ccccc2sc1/C=C1/N(CC=C)C(=C(c2ccccc2)S1)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 7.6554 |
| logD: | 7.6554 |
| logSw: | -6.0248 |
| Hydrogen bond acceptors count: | 1 |
| Polar surface area: | 3.8481 |
| InChI Key: | DCFHNESNKIDDCH-UHFFFAOYSA-N |