methyl 4-{5-[(2,4-dimethylphenyl)carbamoyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazol-4-yl}benzoate
Chemical Structure Depiction of
methyl 4-{5-[(2,4-dimethylphenyl)carbamoyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazol-4-yl}benzoate
methyl 4-{5-[(2,4-dimethylphenyl)carbamoyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazol-4-yl}benzoate
Compound characteristics
| Compound ID: | 8019-8256 |
| Compound Name: | methyl 4-{5-[(2,4-dimethylphenyl)carbamoyl]-3,6-dihydroxy-6-methyl-4,5,6,7-tetrahydro-1H-indazol-4-yl}benzoate |
| Molecular Weight: | 449.51 |
| Molecular Formula: | C25 H27 N3 O5 |
| Smiles: | Cc1ccc(c(C)c1)NC(C1C(c2ccc(cc2)C(=O)OC)c2c(n[nH]c2CC1(C)O)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3857 |
| logD: | 2.7999 |
| logSw: | -3.4611 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 100.002 |
| InChI Key: | XQIIIPVRIJRDRO-UHFFFAOYSA-N |