1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Chemical Structure Depiction of
1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid
Compound characteristics
| Compound ID: | 8016-1157 |
| Compound Name: | 1-oxo-2-{3-[(propan-2-yl)oxy]propyl}-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylic acid |
| Molecular Weight: | 295.33 |
| Molecular Formula: | C15 H21 N O5 |
| Smiles: | CC(C)OCCCN1CC23C=CC(C(C2C1=O)C(O)=O)O3 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.4998 |
| logD: | -1.7216 |
| logSw: | -0.4643 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.407 |
| InChI Key: | BLTYHKOYVOKCHR-UHFFFAOYSA-N |