N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide
Compound characteristics
| Compound ID: | D443-2435 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-oxo-1H-2-benzothiopyran-3-carboxamide |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C19 H14 N2 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C1=Cc3ccccc3C(=O)S1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.2632 |
| logD: | 2.4844 |
| logSw: | -4.5398 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.094 |
| InChI Key: | QWVYTVCBNPZZAC-UHFFFAOYSA-N |