methyl 2-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate
methyl 2-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | C607-0683 |
| Compound Name: | methyl 2-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate |
| Molecular Weight: | 366.44 |
| Molecular Formula: | C19 H18 N4 O2 S |
| Smiles: | COC(c1ccccc1NC(N1CCn2c3ccccc3nc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6363 |
| logD: | 3.6357 |
| logSw: | -3.9218 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.555 |
| InChI Key: | RCKJYIHNQFVURU-UHFFFAOYSA-N |