1-(3,4-dihydroquinolin-1(2H)-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butan-1-one
Chemical Structure Depiction of
1-(3,4-dihydroquinolin-1(2H)-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butan-1-one
1-(3,4-dihydroquinolin-1(2H)-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butan-1-one
Compound characteristics
| Compound ID: | F848-0052 |
| Compound Name: | 1-(3,4-dihydroquinolin-1(2H)-yl)-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butan-1-one |
| Molecular Weight: | 453.56 |
| Molecular Formula: | C23 H27 N5 O3 S |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)nnn2CCCC(N1CCCc2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7238 |
| logD: | 2.7238 |
| logSw: | -3.301 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.777 |
| InChI Key: | FHBKVGIYZJSVIC-UHFFFAOYSA-N |