N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | J078-0899 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide |
| Molecular Weight: | 495.53 |
| Molecular Formula: | C29 H25 N3 O5 |
| Smiles: | C1CN(Cc2ccccc12)C(C1=CC(N(CC(NCc2ccc3c(c2)OCO3)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0323 |
| logD: | 3.0323 |
| logSw: | -3.6266 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.516 |
| InChI Key: | PDLLYBKMZJQZOX-UHFFFAOYSA-N |