N-[(4-chlorophenyl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
N-[(4-chlorophenyl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
N-[(4-chlorophenyl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2043 |
| Compound Name: | N-[(4-chlorophenyl)methyl]-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 536.05 |
| Molecular Formula: | C28 H26 Cl N3 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.5208 |
| logD: | 4.5204 |
| logSw: | -4.6258 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.345 |
| InChI Key: | VDDOTKYBMOYEFL-UHFFFAOYSA-N |