N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 6049-1424 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-1-oxo-1H-2-benzopyran-3-carboxamide |
| Molecular Weight: | 378.45 |
| Molecular Formula: | C21 H18 N2 O3 S |
| Smiles: | C1CCCc2c(CC1)c(C#N)c(NC(C1=Cc3ccccc3C(=O)O1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.6704 |
| logD: | 1.7333 |
| logSw: | -4.7457 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.839 |
| InChI Key: | RAEFBLCIHHVDMX-UHFFFAOYSA-N |