N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y501-0096 |
| Compound Name: | N-[(2-bromophenyl)carbamothioyl]-5-[(4-chloro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 439.72 |
| Molecular Formula: | C16 H12 Br Cl N4 O2 S |
| Smiles: | C(c1ccc(C(NC(Nc2ccccc2[Br])=S)=O)o1)n1cc(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.9664 |
| logD: | 3.9652 |
| logSw: | -4.3928 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.889 |
| InChI Key: | YBYOCJSSVPAJNO-UHFFFAOYSA-N |