N-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-N~2~-(4-methylbenzene-1-sulfonyl)valinamide
Chemical Structure Depiction of
N-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-N~2~-(4-methylbenzene-1-sulfonyl)valinamide
N-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-N~2~-(4-methylbenzene-1-sulfonyl)valinamide
Compound characteristics
| Compound ID: | L815-0198 |
| Compound Name: | N-[1-(3,4-dihydroquinolin-1(2H)-yl)-1-oxopropan-2-yl]-N~2~-(4-methylbenzene-1-sulfonyl)valinamide |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C24 H31 N3 O4 S |
| Smiles: | CC(C)C(C(NC(C)C(N1CCCc2ccccc12)=O)=O)NS(c1ccc(C)cc1)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8756 |
| logD: | 3.8749 |
| logSw: | -3.9351 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.995 |
| InChI Key: | XOJUZYMZIVEWAO-UHFFFAOYSA-N |