5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinane-2-thione
Chemical Structure Depiction of
5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinane-2-thione
5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinane-2-thione
Compound characteristics
| Compound ID: | 5701-2366 |
| Compound Name: | 5-benzyl-1-(2,3-dimethylphenyl)-1,3,5-triazinane-2-thione |
| Molecular Weight: | 311.45 |
| Molecular Formula: | C18 H21 N3 S |
| Smiles: | Cc1cccc(c1C)N1CN(Cc2ccccc2)CNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.3858 |
| logD: | 3.7861 |
| logSw: | -4.2554 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 17.6314 |
| InChI Key: | VMQKSAZVYAPUEP-UHFFFAOYSA-N |