2-tert-butoxy-2-oxoethyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Chemical Structure Depiction of
2-tert-butoxy-2-oxoethyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
2-tert-butoxy-2-oxoethyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | L867-0519 |
| Compound Name: | 2-tert-butoxy-2-oxoethyl 2-(3-fluorophenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxylate |
| Molecular Weight: | 397.4 |
| Molecular Formula: | C22 H20 F N O5 |
| Smiles: | CC(C)(C)OC(COC(C1=CN(C(c2ccccc12)=O)c1cccc(c1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1137 |
| logD: | 3.1137 |
| logSw: | -3.4441 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.152 |
| InChI Key: | DDJANUHQFVYWPP-UHFFFAOYSA-N |