2-{1-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
2-{1-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-{1-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8019-3598 |
| Compound Name: | 2-{1-[1-(4-methoxyphenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 451.48 |
| Molecular Formula: | C23 H25 N5 O5 |
| Smiles: | COc1ccc(cc1)n1c(C2(CCCCC2)N2CC34C=CC(C(C3C2=O)C(O)=O)O4)nnn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4566 |
| logD: | 0.2352 |
| logSw: | -2.4773 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.938 |
| InChI Key: | DJVBNMPYSWDCFZ-UHFFFAOYSA-N |