4-bromo-2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Chemical Structure Depiction of
4-bromo-2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
4-bromo-2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Compound characteristics
| Compound ID: | 8009-9686 |
| Compound Name: | 4-bromo-2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol |
| Molecular Weight: | 381.35 |
| Molecular Formula: | C17 H17 Br O S2 |
| Smiles: | Cc1cc2CSC(c3cc(ccc3O)[Br])SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 6.3691 |
| logD: | 6.3684 |
| logSw: | -5.4834 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.7666 |
| InChI Key: | AMTSZKIFBVIOKA-UHFFFAOYSA-N |