N-(3-methoxyphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
Chemical Structure Depiction of
N-(3-methoxyphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
N-(3-methoxyphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide
Compound characteristics
| Compound ID: | C607-0630 |
| Compound Name: | N-(3-methoxyphenyl)-3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioamide |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C18 H18 N4 O S |
| Smiles: | COc1cccc(c1)NC(N1CCn2c3ccccc3nc2C1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.6345 |
| logD: | 3.6342 |
| logSw: | -4.0176 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.6232 |
| InChI Key: | XWOORVKMCDORCQ-UHFFFAOYSA-N |