methyl 4-[2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
methyl 4-[2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate
Compound characteristics
| Compound ID: | 8017-4937 |
| Compound Name: | methyl 4-[2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamido]benzoate |
| Molecular Weight: | 479.56 |
| Molecular Formula: | C24 H25 N5 O4 S |
| Smiles: | Cn1c(CN2CC(CC2=O)c2ccccc2)nnc1SCC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3645 |
| logD: | 2.3644 |
| logSw: | -2.7774 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.546 |
| InChI Key: | BUVJIZVXCRYKNO-GOSISDBHSA-N |