1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide
1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | D501-0159 |
| Compound Name: | 1-{2-[(2H-1,3-benzodioxol-5-yl)amino]-2-oxoethyl}-2-oxo-N-propyl-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 407.42 |
| Molecular Formula: | C22 H21 N3 O5 |
| Smiles: | CCCNC(C1=CC(N(CC(Nc2ccc3c(c2)OCO3)=O)c2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.09 |
| logD: | 2.0899 |
| logSw: | -3.1703 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.41 |
| InChI Key: | CACUREABGGTWQA-UHFFFAOYSA-N |