methyl 4-({3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Chemical Structure Depiction of
methyl 4-({3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}amino)benzoate
methyl 4-({3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}amino)benzoate
Compound characteristics
| Compound ID: | T501-0863 |
| Compound Name: | methyl 4-({3-[(4-phenyl-4H-1,2,4-triazol-3-yl)methyl]piperidine-1-carbonyl}amino)benzoate |
| Molecular Weight: | 419.48 |
| Molecular Formula: | C23 H25 N5 O3 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCC(Cc2nncn2c2ccccc2)C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.316 |
| logD: | 3.3159 |
| logSw: | -3.7026 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.335 |
| InChI Key: | GNVOVEIUPYAPAV-QGZVFWFLSA-N |