N-{3-[butyl(ethyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(ethyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-{3-[butyl(ethyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2084 |
| Compound Name: | N-{3-[butyl(ethyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 552.74 |
| Molecular Formula: | C30 H40 N4 O4 S |
| Smiles: | CCCCN(CC)CCCNC(C1=CN(CC)c2ccc(cc2C1=O)S(N1CCc2ccccc2C1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0856 |
| logD: | 1.393 |
| logSw: | -3.8761 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.123 |
| InChI Key: | KMEVILIFYWHHTR-UHFFFAOYSA-N |