N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | 8016-6969 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(3-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 345.38 |
| Molecular Formula: | C15 H15 N5 O3 S |
| Smiles: | C1CCc2c(C#N)c(NC(Cn3ccc(n3)[N+]([O-])=O)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.473 |
| logD: | 1.3048 |
| logSw: | -2.897 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.724 |
| InChI Key: | QTMFIAZWFLBMDN-UHFFFAOYSA-N |