N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(oxolane-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-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | Y206-2649 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(CN3CCN(CC3)C(C3CCCO3)=O)=O)sc2CC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.369 |
| logD: | 1.1094 |
| logSw: | -2.6628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.091 |
| InChI Key: | PASOLOLOKZKNCQ-KRWDZBQOSA-N |