methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate
methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | M754-1266 |
| Compound Name: | methyl 4-{[2-(5-phenyl-4H-1,2,4-triazol-3-yl)piperidine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 405.46 |
| Molecular Formula: | C22 H23 N5 O3 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCCCC1c1nnc(c2ccccc2)[nH]1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4207 |
| logD: | 3.3852 |
| logSw: | -3.5498 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.089 |
| InChI Key: | CYIVBEBQCWNFKB-SFHVURJKSA-N |