N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C197-0202 |
| Compound Name: | N~3~-[(1-oxoisoquinolin-2(1H)-yl)acetyl]-N-(3,4,5-trimethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C23 H25 N3 O6 |
| Smiles: | COc1cc(cc(c1OC)OC)NC(CCNC(CN1C=Cc2ccccc2C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.6516 |
| logD: | 0.6509 |
| logSw: | -2.4847 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.121 |
| InChI Key: | SWBJGVOQZSKIBN-UHFFFAOYSA-N |