N-(3-chloro-4-methoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
N-(3-chloro-4-methoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6052 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-3-[(2,5-dimethylphenyl)methyl]-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 403.97 |
| Molecular Formula: | C21 H26 Cl N3 O S |
| Smiles: | Cc1ccc(C)c(CN2CCCN(C2)C(Nc2ccc(c(c2)[Cl])OC)=S)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.6889 |
| logD: | 5.5432 |
| logSw: | -5.9564 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.0475 |
| InChI Key: | NIUFKEARQCTODE-UHFFFAOYSA-N |