N-(2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D532-0079 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(4-ethyl-5-{[(4-fluorophenyl)(methanesulfonyl)amino]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 507.56 |
| Molecular Formula: | C21 H22 F N5 O5 S2 |
| Smiles: | CCn1c(CN(c2ccc(cc2)F)S(C)(=O)=O)nnc1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4284 |
| logD: | 2.4284 |
| logSw: | -3.0555 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.796 |
| InChI Key: | LJCMXWNAGKBSCA-UHFFFAOYSA-N |