methyl 4-{[1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carbonyl]amino}benzoate
methyl 4-{[1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | F828-1396 |
| Compound Name: | methyl 4-{[1-(3,5-dimethyl-1-phenyl-1H-pyrazole-4-sulfonyl)piperidine-4-carbonyl]amino}benzoate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Smiles: | Cc1c(c(C)n(c2ccccc2)n1)S(N1CCC(CC1)C(Nc1ccc(cc1)C(=O)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6694 |
| logD: | 2.669 |
| logSw: | -3.1577 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.632 |
| InChI Key: | KTPAYAKXJHKZKJ-UHFFFAOYSA-N |