3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide
Chemical Structure Depiction of
3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide
3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide
Compound characteristics
| Compound ID: | K783-5175 |
| Compound Name: | 3-benzyl-N-(3-chloro-4-methoxyphenyl)-1,3-diazinane-1-carbothioamide |
| Molecular Weight: | 375.92 |
| Molecular Formula: | C19 H22 Cl N3 O S |
| Smiles: | COc1ccc(cc1[Cl])NC(N1CCCN(Cc2ccccc2)C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.4888 |
| logD: | 4.3682 |
| logSw: | -4.5488 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.0475 |
| InChI Key: | VPCUVJUGRAMKGO-UHFFFAOYSA-N |