N-(3-chloro-4-methoxyphenyl)-3-[(3-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-[(3-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3-chloro-4-methoxyphenyl)-3-[(3-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6024 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-[(3-chlorophenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 410.36 |
| Molecular Formula: | C19 H21 Cl2 N3 O S |
| Smiles: | COc1ccc(cc1[Cl])NC(N1CCCN(Cc2cccc(c2)[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.1443 |
| logD: | 5.0887 |
| logSw: | -5.6893 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.0475 |
| InChI Key: | UTPAEFNQIFJOKU-UHFFFAOYSA-N |