2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Chemical Structure Depiction of
2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide
Compound characteristics
| Compound ID: | D360-7011 |
| Compound Name: | 2-[(3-cyano-5-oxo-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)acetamide |
| Molecular Weight: | 422.53 |
| Molecular Formula: | C21 H18 N4 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSc1c(C#N)cc3C(CCCc3n1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.8916 |
| logD: | 2.7864 |
| logSw: | -4.1842 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.36 |
| InChI Key: | SUYAUVNIUMFPIV-UHFFFAOYSA-N |