6-bromo-1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)naphthalen-2-ol
Chemical Structure Depiction of
6-bromo-1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)naphthalen-2-ol
6-bromo-1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)naphthalen-2-ol
Compound characteristics
| Compound ID: | 8009-9704 |
| Compound Name: | 6-bromo-1-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)naphthalen-2-ol |
| Molecular Weight: | 431.41 |
| Molecular Formula: | C21 H19 Br O S2 |
| Smiles: | Cc1cc2CSC(c3c(ccc4cc(ccc34)[Br])O)SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 7.5155 |
| logD: | 7.515 |
| logSw: | -6.2277 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.495 |
| InChI Key: | HRXLPQIVXRLKQP-UHFFFAOYSA-N |