phenyl N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-beta-alaninate
Chemical Structure Depiction of
phenyl N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-beta-alaninate
phenyl N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-beta-alaninate
Compound characteristics
| Compound ID: | 8016-8395 |
| Compound Name: | phenyl N-(3-chloro-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-beta-alaninate |
| Molecular Weight: | 355.78 |
| Molecular Formula: | C19 H14 Cl N O4 |
| Smiles: | C(CNC1=C(C(c2ccccc2C1=O)=O)[Cl])C(=O)Oc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.185 |
| logD: | 3.185 |
| logSw: | -4.1542 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.781 |
| InChI Key: | ASIMEPHOPBZYLK-UHFFFAOYSA-N |