N-(2,3-dimethylphenyl)-3-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]propanamide
Chemical Structure Depiction of
N-(2,3-dimethylphenyl)-3-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]propanamide
N-(2,3-dimethylphenyl)-3-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]propanamide
Compound characteristics
| Compound ID: | F952-1972 |
| Compound Name: | N-(2,3-dimethylphenyl)-3-[2-oxo-6-(pyrrolidine-1-sulfonyl)-1,3-benzothiazol-3(2H)-yl]propanamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | Cc1cccc(c1C)NC(CCN1C(=O)Sc2cc(ccc12)S(N1CCCC1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1378 |
| logD: | 4.1378 |
| logSw: | -4.1738 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.318 |
| InChI Key: | MMEQDPDBHJQKHY-UHFFFAOYSA-N |