5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]furan-2-carboxamide
Chemical Structure Depiction of
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]furan-2-carboxamide
5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-0099 |
| Compound Name: | 5-[(4-chloro-1H-pyrazol-1-yl)methyl]-N-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamothioyl]furan-2-carboxamide |
| Molecular Weight: | 445.95 |
| Molecular Formula: | C19 H16 Cl N5 O2 S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(NC(c1ccc(Cn3cc(cn3)[Cl])o1)=O)=S)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1834 |
| logD: | 3.3232 |
| logSw: | -4.8589 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.358 |
| InChI Key: | IMGZZYVAJWZIEI-UHFFFAOYSA-N |