4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
Chemical Structure Depiction of
4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol
Compound characteristics
| Compound ID: | 2729-1078 |
| Compound Name: | 4-(7,8-dimethyl-1,5-dihydro-3H-2,4-benzodithiepin-3-yl)-3-methyl-1-(4-methylphenyl)-1H-pyrazol-5-ol |
| Molecular Weight: | 396.57 |
| Molecular Formula: | C22 H24 N2 O S2 |
| Smiles: | Cc1ccc(cc1)n1c(c(C2SCc3cc(C)c(C)cc3CS2)c(C)n1)O |
| Stereo: | ACHIRAL |
| logP: | 5.7111 |
| logD: | 4.9421 |
| logSw: | -5.3851 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.0682 |
| InChI Key: | UDJVOANVOPLBKB-UHFFFAOYSA-N |