ethyl 4-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate
Chemical Structure Depiction of
ethyl 4-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate
ethyl 4-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate
Compound characteristics
| Compound ID: | C607-0614 |
| Compound Name: | ethyl 4-[(3,4-dihydropyrazino[1,2-a]benzimidazole-2(1H)-carbothioyl)amino]benzoate |
| Molecular Weight: | 380.47 |
| Molecular Formula: | C20 H20 N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N1CCn2c3ccccc3nc2C1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1695 |
| logD: | 4.1691 |
| logSw: | -3.9853 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.833 |
| InChI Key: | WHURKPPRMATYME-UHFFFAOYSA-N |