4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-3-carboxamide
4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y501-1469 |
| Compound Name: | 4-bromo-N-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamothioyl]-1-ethyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 452.39 |
| Molecular Formula: | C17 H18 Br N5 O S2 |
| Smiles: | CCn1cc(c(C(NC(Nc2c(C#N)c3CCCCCc3s2)=S)=O)n1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.1268 |
| logD: | 1.9698 |
| logSw: | -4.1505 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.39 |
| InChI Key: | FVGJBZZYGDWEHK-UHFFFAOYSA-N |