N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide
Compound characteristics
| Compound ID: | 8755-0171 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-methylpiperazin-1-yl)acetamide |
| Molecular Weight: | 318.44 |
| Molecular Formula: | C16 H22 N4 O S |
| Smiles: | CN1CCN(CC1)CC(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1364 |
| logD: | 2.1364 |
| logSw: | -2.4046 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.368 |
| InChI Key: | TUVUYMHQAWUWEK-UHFFFAOYSA-N |