N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanamide
Compound characteristics
| Compound ID: | Y504-5053 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-3-(1,3-dioxooctahydro-2H-isoindol-2-yl)propanamide |
| Molecular Weight: | 399.51 |
| Molecular Formula: | C21 H25 N3 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(CCN3C(C4CCCCC4C3=O)=O)=O)sc2CC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0552 |
| logD: | 1.413 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.913 |
| InChI Key: | VZTRLLOOMSUAFA-UHFFFAOYSA-N |