2-{(4-methoxyphenyl)[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-{(4-methoxyphenyl)[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-{(4-methoxyphenyl)[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8019-3597 |
| Compound Name: | 2-{(4-methoxyphenyl)[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]methyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 489.49 |
| Molecular Formula: | C25 H23 N5 O6 |
| Smiles: | COc1ccc(cc1)C(c1nnnn1c1ccc(cc1)OC)N1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2936 |
| logD: | 0.0722 |
| logSw: | -2.5274 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 106.238 |
| InChI Key: | PVGNDPBTWWLNIV-UHFFFAOYSA-N |