N-(2H-1,3-benzodioxol-5-yl)-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)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide
Compound characteristics
| Compound ID: | J078-0880 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[4-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-2-oxoquinolin-1(2H)-yl]acetamide |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C28 H23 N3 O5 |
| Smiles: | C1CN(Cc2ccccc12)C(C1=CC(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3745 |
| logD: | 3.3745 |
| logSw: | -3.8366 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.194 |
| InChI Key: | WYTOSVUOUJNVQD-UHFFFAOYSA-N |