propyl 4-[2-oxo-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)pyrrolidin-1-yl]benzoate
Chemical Structure Depiction of
propyl 4-[2-oxo-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)pyrrolidin-1-yl]benzoate
propyl 4-[2-oxo-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)pyrrolidin-1-yl]benzoate
Compound characteristics
| Compound ID: | Y042-4741 |
| Compound Name: | propyl 4-[2-oxo-4-({4-[(1H-1,2,4-triazol-1-yl)methyl]phenyl}carbamoyl)pyrrolidin-1-yl]benzoate |
| Molecular Weight: | 447.49 |
| Molecular Formula: | C24 H25 N5 O4 |
| Smiles: | CCCOC(c1ccc(cc1)N1CC(CC1=O)C(Nc1ccc(Cn2cncn2)cc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2165 |
| logD: | 2.2164 |
| logSw: | -2.7305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 86.104 |
| InChI Key: | XHGSHEZYKODKON-LJQANCHMSA-N |