N-(2,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(2,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(2,4-dimethylphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6037 |
| Compound Name: | N-(2,4-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)c1)NC(N1CCCN(Cc2cc(C)ccc2C)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 6.0046 |
| logD: | 5.8589 |
| logSw: | -5.4163 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 14.7193 |
| InChI Key: | WUPAFJFJVKMUHL-UHFFFAOYSA-N |