N-{3-[bis(2-methylpropyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-{3-[bis(2-methylpropyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2096 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 580.79 |
| Molecular Formula: | C32 H44 N4 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCCN(CC(C)C)CC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9002 |
| logD: | 2.1047 |
| logSw: | -4.3934 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.42 |
| InChI Key: | QEPBBFQNCLGYRO-UHFFFAOYSA-N |