N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | D731-0748 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C19 H16 N2 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C1Cc3ccccc3C(=O)O1)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5513 |
| logD: | 1.85 |
| logSw: | -3.9755 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.925 |
| InChI Key: | GDESVVKXGUWWIE-HNNXBMFYSA-N |