N-(2,6-dimethylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2,6-dimethylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D583-2277 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-[(5-{[(methanesulfonyl)(phenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C21 H25 N5 O3 S2 |
| Smiles: | Cc1cccc(C)c1NC(CSc1nnc(CN(c2ccccc2)S(C)(=O)=O)n1C)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0148 |
| logD: | 2.0148 |
| logSw: | -2.4235 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.37 |
| InChI Key: | VBWPRRZAAFLCRQ-UHFFFAOYSA-N |