3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinane-1-carbothioamide
3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3604 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 405.95 |
| Molecular Formula: | C20 H24 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1OC)NC(N1CCCN(Cc2ccccc2[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.1511 |
| logD: | 4.1138 |
| logSw: | -4.3158 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.6779 |
| InChI Key: | PKFJFVVMJYORNL-UHFFFAOYSA-N |