6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2051 |
| Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethyl-N-[(4-methylphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 515.63 |
| Molecular Formula: | C29 H29 N3 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(NCc1ccc(C)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3494 |
| logD: | 4.3493 |
| logSw: | -4.1916 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.345 |
| InChI Key: | ZDTJKWWMTFJGJE-UHFFFAOYSA-N |