4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y500-9699 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 514.46 |
| Molecular Formula: | C22 H20 Br N5 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(NC(c3ccc(Cn4cc(cn4)[Br])cc3)=O)=S)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0674 |
| logD: | 4.2235 |
| logSw: | -4.7327 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.848 |
| InChI Key: | MQYVGDPQCSRTPF-UHFFFAOYSA-N |