N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-3792 |
| Compound Name: | N-(4-chloro-2-methoxyphenyl)-3-[(2-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 410.36 |
| Molecular Formula: | C19 H21 Cl2 N3 O S |
| Smiles: | COc1cc(ccc1NC(N1CCCN(Cc2ccccc2[Cl])C1)=S)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.618 |
| logD: | 5.5807 |
| logSw: | -5.9176 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.3497 |
| InChI Key: | JYJFJPGEECDBJE-UHFFFAOYSA-N |