2-{1-[1-(4-chlorophenyl)-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-chlorophenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
2-{1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8019-5127 |
| Compound Name: | 2-{1-[1-(4-chlorophenyl)-1H-tetrazol-5-yl]cyclohexyl}-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 455.9 |
| Molecular Formula: | C22 H22 Cl N5 O4 |
| Smiles: | C1CCC(CC1)(c1nnnn1c1ccc(cc1)[Cl])N1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.069 |
| logD: | 0.8476 |
| logSw: | -3.4234 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.395 |
| InChI Key: | BMGGZLWHFMWCMN-UHFFFAOYSA-N |