1,3-dimethyl-5-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1,3-dimethyl-5-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | D664-0082 |
| Compound Name: | 1,3-dimethyl-5-{[(3-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 290.34 |
| Molecular Formula: | C12 H14 N6 O S |
| Smiles: | CN1C(N(C)c2cc(CNn3cnnc3S)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 0.2701 |
| logD: | 0.11 |
| logSw: | -1.925 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.183 |
| InChI Key: | YYCJRETWEREVOS-UHFFFAOYSA-N |