N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide
Compound characteristics
| Compound ID: | D429-0229 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3-phenyl-3,4-dihydro-1H-2-benzopyran-6-carboxamide |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C25 H20 N2 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(c1ccc3C(=O)OC(Cc3c1)c1ccccc1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.232 |
| logD: | 1.9558 |
| logSw: | -5.5112 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.653 |
| InChI Key: | GQHRHOAUUBAVOU-OAQYLSRUSA-N |