N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide
Compound characteristics
| Compound ID: | 4072-2557 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C22 H21 N3 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(CCCN3C(c4ccccc4C3=O)=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1376 |
| logD: | 1.8244 |
| logSw: | -3.575 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.721 |
| InChI Key: | VOZLXRLVSNFPCI-UHFFFAOYSA-N |