N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | D336-0429 |
| Compound Name: | N-(2-{[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]sulfanyl}-1,3-benzothiazol-6-yl)-4-fluorobenzamide |
| Molecular Weight: | 477.58 |
| Molecular Formula: | C25 H20 F N3 O2 S2 |
| Smiles: | C1Cc2ccccc2N(C1)C(CSc1nc2ccc(cc2s1)NC(c1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6027 |
| logD: | 5.5975 |
| logSw: | -5.832 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.196 |
| InChI Key: | PGXIOIQNPSOUOZ-UHFFFAOYSA-N |