N-(2,6-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(2,6-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-5909 |
| Compound Name: | N-(2,6-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 367.56 |
| Molecular Formula: | C22 H29 N3 S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2c(C)cccc2C)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.5248 |
| logD: | 5.3791 |
| logSw: | -5.3899 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.0214 |
| InChI Key: | UJWCKPYKONTWFC-UHFFFAOYSA-N |