N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide
N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide
Compound characteristics
| Compound ID: | 5867-2096 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-[(3-cyano-4-ethyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]propanamide |
| Molecular Weight: | 540.71 |
| Molecular Formula: | C30 H28 N4 O2 S2 |
| Smiles: | CCc1c(C#N)c(nc2CC(C)(C)CC(c12)=O)SCCC(Nc1cccc(c1)c1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8605 |
| logD: | 6.8605 |
| logSw: | -5.7004 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.038 |
| InChI Key: | WGEZWMFCEMBVLV-UHFFFAOYSA-N |