N-(3,5-dimethylphenyl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Chemical Structure Depiction of
N-(3,5-dimethylphenyl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(3,5-dimethylphenyl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8017-4587 |
| Compound Name: | N-(3,5-dimethylphenyl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C24 H27 N5 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(CSc1nnc(CN2CC(CC2=O)c2ccccc2)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9668 |
| logD: | 2.9668 |
| logSw: | -3.2073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.372 |
| InChI Key: | JGSOEXPEKWNXQT-LJQANCHMSA-N |