6-(3,4-dihydroquinoline-1(2H)-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,3-benzothiazol-2(3H)-one
Chemical Structure Depiction of
6-(3,4-dihydroquinoline-1(2H)-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,3-benzothiazol-2(3H)-one
6-(3,4-dihydroquinoline-1(2H)-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,3-benzothiazol-2(3H)-one
Compound characteristics
| Compound ID: | F943-0087 |
| Compound Name: | 6-(3,4-dihydroquinoline-1(2H)-sulfonyl)-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,3-benzothiazol-2(3H)-one |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C22 H23 N3 O4 S2 |
| Smiles: | C1CCN(C1)C(CN1C(=O)Sc2cc(ccc12)S(N1CCCc2ccccc12)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2464 |
| logD: | 3.2464 |
| logSw: | -3.6603 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.722 |
| InChI Key: | NYVCHMCFNDPABX-UHFFFAOYSA-N |