N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | Y206-1107 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(CN3CCN(CC3)C(c3ccco3)=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.0224 |
| logD: | 1.7628 |
| logSw: | -3.173 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.257 |
| InChI Key: | QSPOLDUHQFHJCO-UHFFFAOYSA-N |