N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
Chemical Structure Depiction of
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide
Compound characteristics
| Compound ID: | Y205-5709 |
| Compound Name: | N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[4-(oxolane-2-carbonyl)piperazin-1-yl]acetamide |
| Molecular Weight: | 416.54 |
| Molecular Formula: | C21 H28 N4 O3 S |
| Smiles: | CC1CCc2c(C#N)c(NC(CN3CCN(CC3)C(C3CCCO3)=O)=O)sc2C1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.307 |
| logD: | 1.0474 |
| logSw: | -2.6274 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.76 |
| InChI Key: | OXEBWASXVGDIDB-UHFFFAOYSA-N |