3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide
3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6040 |
| Compound Name: | 3-[(2,5-dimethylphenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 383.55 |
| Molecular Formula: | C22 H29 N3 O S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCCN(Cc2cc(C)ccc2C)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5473 |
| logD: | 5.4015 |
| logSw: | -5.2625 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.5407 |
| InChI Key: | OOJYVOXEFZVRNL-UHFFFAOYSA-N |