3-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a]benzimidazol-10-ium--bromide (1/1)
Chemical Structure Depiction of
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a]benzimidazol-10-ium--bromide (1/1)
3-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a]benzimidazol-10-ium--bromide (1/1)
Compound characteristics
| Compound ID: | 3312-0060 |
| Compound Name: | 3-(3,5-di-tert-butyl-4-hydroxyphenyl)-10-methyl-2H-[1,3,4]thiadiazino[3,2-a]benzimidazol-10-ium--bromide (1/1) |
| Molecular Weight: | 488.49 |
| Molecular Formula: | C24 H30 N3 O S |
| Salt: | Br- |
| Smiles: | CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C1CSc2n(c3ccccc3[n+]2C)N=1 |
| Stereo: | ACHIRAL |
| logP: | 6.4888 |
| logD: | 6.4888 |
| logSw: | -5.8841 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.6003 |
| InChI Key: | BPADMUDPNVXFJF-UHFFFAOYSA-O |