1,3-dimethyl-5-{[(3-propyl-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-propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-{[(3-propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | D664-0065 |
| Compound Name: | 1,3-dimethyl-5-{[(3-propyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)amino]methyl}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 332.43 |
| Molecular Formula: | C15 H20 N6 O S |
| Smiles: | [H]N(Cc1ccc2c(c1)N(C)C(N2C)=O)n1c(CCC)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.4964 |
| logD: | 0.1726 |
| logSw: | -2.1709 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.122 |
| InChI Key: | CTWTVUROFYHBST-UHFFFAOYSA-N |