N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | L815-0048 |
| Compound Name: | N-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-N~3~-(4-methylbenzene-1-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C21 H25 N3 O4 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(NCC(N1CCCc2ccccc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6788 |
| logD: | 2.6788 |
| logSw: | -3.2874 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.367 |
| InChI Key: | ZMLGKXVOFXCBEE-UHFFFAOYSA-N |