4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Chemical Structure Depiction of
4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol
Compound characteristics
Compound ID: | 2729-1114 |
Compound Name: | 4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)phenol |
Molecular Weight: | 302.46 |
Molecular Formula: | C17 H18 O S2 |
Smiles: | Cc1cc2CSC(c3ccc(cc3)O)SCc2cc1C |
Stereo: | ACHIRAL |
logP: | 5.2379 |
logD: | 5.2371 |
logSw: | -5.0992 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 17.8355 |
InChI Key: | ORHCZRXGLKBGRU-UHFFFAOYSA-N |