benzyl 3,6-dihydroxy-6-methyl-4-(pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
benzyl 3,6-dihydroxy-6-methyl-4-(pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
benzyl 3,6-dihydroxy-6-methyl-4-(pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | 8017-6185 |
| Compound Name: | benzyl 3,6-dihydroxy-6-methyl-4-(pyridin-3-yl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 379.41 |
| Molecular Formula: | C21 H21 N3 O4 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCc1ccccc1)c1cccnc1)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.885 |
| logD: | 1.2748 |
| logSw: | -1.7041 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.811 |
| InChI Key: | SXGBSTMIILUDRF-UHFFFAOYSA-N |