2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-nitrophenol
Chemical Structure Depiction of
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-nitrophenol
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-nitrophenol
Compound characteristics
| Compound ID: | 8009-9700 |
| Compound Name: | 2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-nitrophenol |
| Molecular Weight: | 347.45 |
| Molecular Formula: | C17 H17 N O3 S2 |
| Smiles: | Cc1cc2CSC(c3cc(ccc3O)[N+]([O-])=O)SCc2cc1C |
| Stereo: | ACHIRAL |
| logP: | 5.5948 |
| logD: | 5.3748 |
| logSw: | -5.2669 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.148 |
| InChI Key: | SOUQCGZPYLBAKF-UHFFFAOYSA-N |