N,N-diethyl-4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzene-1-sulfonamide
Chemical Structure Depiction of
N,N-diethyl-4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzene-1-sulfonamide
N,N-diethyl-4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | E942-0260 |
| Compound Name: | N,N-diethyl-4-{[2-(2-methylpropyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbamamido}benzene-1-sulfonamide |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Smiles: | CCN(CC)S(c1ccc(cc1)NC(NC1=CN(CC(C)C)C(c2ccccc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8802 |
| logD: | 3.8465 |
| logSw: | -4.0502 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.835 |
| InChI Key: | OXXLVKLGPNIGKW-UHFFFAOYSA-N |