N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Chemical Structure Depiction of
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-2-(1-oxoisoquinolin-2(1H)-yl)acetamide
Compound characteristics
| Compound ID: | C197-0259 |
| Compound Name: | N-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-2-(1-oxoisoquinolin-2(1H)-yl)acetamide |
| Molecular Weight: | 399.45 |
| Molecular Formula: | C21 H25 N3 O5 |
| Smiles: | C(CNC(CN1C=Cc2ccccc2C1=O)=O)C(N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | -0.4876 |
| logD: | -0.4876 |
| logSw: | -2.1688 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.824 |
| InChI Key: | DFZYBNDXHCSWTE-UHFFFAOYSA-N |