prop-2-en-1-yl 3,6-dihydroxy-6-methyl-4-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 3,6-dihydroxy-6-methyl-4-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
prop-2-en-1-yl 3,6-dihydroxy-6-methyl-4-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate
Compound characteristics
| Compound ID: | D046-0030 |
| Compound Name: | prop-2-en-1-yl 3,6-dihydroxy-6-methyl-4-(3-nitrophenyl)-4,5,6,7-tetrahydro-1H-indazole-5-carboxylate |
| Molecular Weight: | 373.36 |
| Molecular Formula: | C18 H19 N3 O6 |
| Smiles: | CC1(Cc2c(C(C1C(=O)OCC=C)c1cccc(c1)[N+]([O-])=O)c(n[nH]2)O)O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.9543 |
| logD: | 1.3685 |
| logSw: | -2.3585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 110.865 |
| InChI Key: | JAYFOCDFZXLKOU-UHFFFAOYSA-N |