3-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,3-diazinane-1-carbothioamide
3-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-4245 |
| Compound Name: | 3-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 375.92 |
| Molecular Formula: | C19 H22 Cl N3 O S |
| Smiles: | COc1ccccc1NC(N1CCCN(Cc2ccccc2[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.7129 |
| logD: | 4.6757 |
| logSw: | -4.7649 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.3497 |
| InChI Key: | HMVXAKHSMCSNIE-UHFFFAOYSA-N |