N-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
N-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C607-0684 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide |
| Molecular Weight: | 360.84 |
| Molecular Formula: | C17 H14 Cl F N4 S |
| Smiles: | C1Cn2c3ccccc3nc2CN1C(Nc1ccc(c(c1)[Cl])F)=S |
| Stereo: | ACHIRAL |
| logP: | 4.2982 |
| logD: | 4.2978 |
| logSw: | -4.4248 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.0794 |
| InChI Key: | IXIHXWAOXUCWIH-UHFFFAOYSA-N |