4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Chemical Structure Depiction of
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide
Compound characteristics
| Compound ID: | Y501-1386 |
| Compound Name: | 4-[(4-bromo-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]benzamide |
| Molecular Weight: | 500.44 |
| Molecular Formula: | C21 H18 Br N5 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(NC(c1ccc(Cn3cc(cn3)[Br])cc1)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.5715 |
| logD: | 3.7276 |
| logSw: | -4.5172 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.517 |
| InChI Key: | ALQCFXOAGNPBTF-UHFFFAOYSA-N |