methyl 4-[2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)acetamido]benzoate
methyl 4-[2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | M189-3170 |
| Compound Name: | methyl 4-[2-(2-tert-butyl-6-chloro-3-oxo-2,3-dihydro-1H-indazol-1-yl)acetamido]benzoate |
| Molecular Weight: | 415.88 |
| Molecular Formula: | C21 H22 Cl N3 O4 |
| Smiles: | CC(C)(C)N1C(c2ccc(cc2N1CC(Nc1ccc(cc1)C(=O)OC)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9538 |
| logD: | 3.9537 |
| logSw: | -4.3954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.308 |
| InChI Key: | JRUJJQDFLVOLTO-UHFFFAOYSA-N |