N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y501-2513 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 356.51 |
| Molecular Formula: | C19 H20 N2 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(c3cc4CCCCc4s3)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.3454 |
| logD: | 3.9829 |
| logSw: | -5.4807 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.371 |
| InChI Key: | ZVKPFUGSWWXOCM-UHFFFAOYSA-N |