3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide
3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K788-6025 |
| Compound Name: | 3-[(3-chlorophenyl)methyl]-N-(4-ethoxyphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 389.95 |
| Molecular Formula: | C20 H24 Cl N3 O S |
| Smiles: | CCOc1ccc(cc1)NC(N1CCCN(Cc2cccc(c2)[Cl])C1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.0026 |
| logD: | 4.947 |
| logSw: | -4.9121 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.5407 |
| InChI Key: | KDFVZDOGCZOZRT-UHFFFAOYSA-N |