N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Chemical Structure Depiction of
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide
Compound characteristics
Compound ID: | 6415-1537 |
Compound Name: | N-[2-(pyrrolidine-1-carbonyl)phenyl]-2-(1,1,3-trioxo-1,3-dihydro-2H-1lambda~6~,2-benzothiazol-2-yl)acetamide |
Molecular Weight: | 413.45 |
Molecular Formula: | C20 H19 N3 O5 S |
Smiles: | C1CCN(C1)C(c1ccccc1NC(CN1C(c2ccccc2S1(=O)=O)=O)=O)=O |
Stereo: | ACHIRAL |
logP: | 1.1938 |
logD: | 1.193 |
logSw: | -2.4278 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 84.65 |
InChI Key: | DQCRGJFTBFBFHR-UHFFFAOYSA-N |