3-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
3-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
3-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F943-2039 |
| Compound Name: | 3-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | C1CCN(C1)S(c1ccc2c(c1)SC(N2CC(N1CCCc2ccccc12)=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.458 |
| logD: | 3.458 |
| logSw: | -3.8672 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 62.945 |
| InChI Key: | FYPJCMWKOKDCBQ-UHFFFAOYSA-N |