2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Chemical Structure Depiction of
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Compound characteristics
| Compound ID: | D532-0341 |
| Compound Name: | 2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide |
| Molecular Weight: | 519.58 |
| Molecular Formula: | C21 H22 F N7 O4 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccc2c(c1)NC(N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7533 |
| logD: | 1.7533 |
| logSw: | -2.717 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 115.407 |
| InChI Key: | XEUOUBRLUQXNRG-UHFFFAOYSA-N |