N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2100 |
| Compound Name: | N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 634.2 |
| Molecular Formula: | C33 H36 Cl N5 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3125 |
| logD: | 4.1326 |
| logSw: | -4.403 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.429 |
| InChI Key: | SEZDRZFTNORQPX-UHFFFAOYSA-N |