N-(3-chloro-4-methylphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
N-(3-chloro-4-methylphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C607-0681 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide |
| Molecular Weight: | 356.87 |
| Molecular Formula: | C18 H17 Cl N4 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(N1CCn2c3ccccc3nc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.9583 |
| logD: | 4.9579 |
| logSw: | -5.0962 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.0794 |
| InChI Key: | ZUQALVYCYYZHMM-UHFFFAOYSA-N |