1-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-N,N-diethyl-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-N,N-diethyl-1H-benzotriazole-5-sulfonamide
1-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-N,N-diethyl-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | F514-0607 |
| Compound Name: | 1-[3-(3,4-dihydroquinolin-1(2H)-yl)-3-oxopropyl]-N,N-diethyl-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C22 H27 N5 O3 S |
| Smiles: | CCN(CC)S(c1ccc2c(c1)nnn2CCC(N1CCCc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8418 |
| logD: | 2.8418 |
| logSw: | -3.4664 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 71.796 |
| InChI Key: | BIRMDDDULBVDKJ-UHFFFAOYSA-N |