butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Chemical Structure Depiction of
butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Compound characteristics
| Compound ID: | 1082-0474 |
| Compound Name: | butyl 1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate |
| Molecular Weight: | 247.25 |
| Molecular Formula: | C13 H13 N O4 |
| Smiles: | CCCCOC(c1ccc2C(NC(c2c1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5465 |
| logD: | 2.3424 |
| logSw: | -3.1205 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.052 |
| InChI Key: | YXJUNTVNUADVNO-UHFFFAOYSA-N |