4-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
4-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2606 |
| Compound Name: | 4-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 379.28 |
| Molecular Formula: | C15 H15 Br N4 O S |
| Smiles: | Cn1cc(c(C(Nc2c(C#N)c3CCCCCc3s2)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.2726 |
| logD: | 0.5378 |
| logSw: | -3.5654 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.787 |
| InChI Key: | YDOPJAQLGFPZAN-UHFFFAOYSA-N |