2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
Chemical Structure Depiction of
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol
Compound characteristics
| Compound ID: | 2729-1075 |
| Compound Name: | 2-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-4-methyl-6-nitrophenol |
| Molecular Weight: | 361.48 |
| Molecular Formula: | C18 H19 N O3 S2 |
| Smiles: | Cc1cc(C2SCc3cc(C)c(C)cc3CS2)c(c(c1)[N+]([O-])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.1438 |
| logD: | 6.0421 |
| logSw: | -5.4784 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.778 |
| InChI Key: | QPRUXZUWBOXDEZ-UHFFFAOYSA-N |