N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-5291 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C14 H13 N5 O3 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(Cn1ccc(n1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 1.9771 |
| logD: | 0.8088 |
| logSw: | -2.6744 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.393 |
| InChI Key: | WMVCDGIGGWWSJL-UHFFFAOYSA-N |