1,3-dimethyl-5-{[(3-methyl-5-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-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | D664-0078 |
| Compound Name: | 1,3-dimethyl-5-{[(3-methyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 304.37 |
| Molecular Formula: | C13 H16 N6 O S |
| Smiles: | Cc1nnc(n1NCc1ccc2c(c1)N(C)C(N2C)=O)S |
| Stereo: | ACHIRAL |
| logP: | 0.3188 |
| logD: | -1.005 |
| logSw: | -1.9051 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.923 |
| InChI Key: | ZOUJPVYVUJPLRQ-UHFFFAOYSA-N |