5-({[3-(2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
5-({[3-(2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
5-({[3-(2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | D664-0081 |
| Compound Name: | 5-({[3-(2-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]amino}methyl)-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C19 H20 N6 O2 S |
| Smiles: | CN1C(N(C)c2cc(CNn3c(c4ccccc4OC)nnc3S)ccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9544 |
| logD: | 0.3457 |
| logSw: | -2.8178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.505 |
| InChI Key: | HQKDFQPAWDFSJM-UHFFFAOYSA-N |