N-(2H-1,3-benzodioxol-5-yl)-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-(2H-1,3-benzodioxol-5-yl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Compound characteristics
| Compound ID: | 8017-3654 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-({4-methyl-5-[(2-oxo-4-phenylpyrrolidin-1-yl)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Smiles: | Cn1c(CN2CC(CC2=O)c2ccccc2)nnc1SCC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1069 |
| logD: | 2.1069 |
| logSw: | -3.0291 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.488 |
| InChI Key: | GPIDUQZEUDAURA-MRXNPFEDSA-N |