ethyl 4-[(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-[(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate
ethyl 4-[(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | V027-0993 |
| Compound Name: | ethyl 4-[(2-{[3-tert-butyl-1-(2,4-dimethylphenyl)-1H-pyrazol-5-yl]amino}-2-oxoethyl)(2-methylpropyl)carbamamido]benzoate |
| Molecular Weight: | 547.7 |
| Molecular Formula: | C31 H41 N5 O4 |
| Salt: | not_available |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CC(C)C)CC(Nc1cc(C(C)(C)C)nn1c1ccc(C)cc1C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5144 |
| logD: | 7.5141 |
| logSw: | -5.5264 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.307 |
| InChI Key: | CBJXMHKGHNQZNM-UHFFFAOYSA-N |