2,4-dibromo-6-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Chemical Structure Depiction of
2,4-dibromo-6-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
2,4-dibromo-6-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Compound characteristics
| Compound ID: | 2729-1073 |
| Compound Name: | 2,4-dibromo-6-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol |
| Molecular Weight: | 460.25 |
| Molecular Formula: | C17 H16 Br2 O S2 |
| Smiles: | Cc1cc2CSC(c3cc(cc(c3O)[Br])[Br])SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 7.1284 |
| logD: | 7.1176 |
| logSw: | -5.7155 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.6976 |
| InChI Key: | CUPPDGXDDGSZIT-UHFFFAOYSA-N |