3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinane-1-carbothioamide
3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6053 |
| Compound Name: | 3-[(2,5-dimethylphenyl)methyl]-N-(3-methoxyphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 369.53 |
| Molecular Formula: | C21 H27 N3 O S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2cccc(c2)OC)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2448 |
| logD: | 5.099 |
| logSw: | -5.0163 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.9609 |
| InChI Key: | IMVUAPWNMKFAEU-UHFFFAOYSA-N |