1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3609-0452 |
| Compound Name: | 1-(3,5-dimethylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 248.3 |
| Molecular Formula: | C12 H12 N2 O2 S |
| Smiles: | Cc1cc(C)cc(c1)N1C(CC(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4861 |
| logD: | -4.1643 |
| logSw: | -2.349 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.721 |
| InChI Key: | VGZIPOWRDDDGOW-UHFFFAOYSA-N |