2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitrophenol
Chemical Structure Depiction of
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitrophenol
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitrophenol
Compound characteristics
| Compound ID: | 2729-1072 |
| Compound Name: | 2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-6-nitrophenol |
| Molecular Weight: | 347.45 |
| Molecular Formula: | C17 H17 N O3 S2 |
| Smiles: | Cc1cc2CSC(c3cccc(c3O)[N+]([O-])=O)SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.6522 |
| logD: | 5.4205 |
| logSw: | -5.4003 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.778 |
| InChI Key: | IYKNAMAXZLQEBE-UHFFFAOYSA-N |