N-{[4-(benzyloxy)phenyl]carbamothioyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-{[4-(benzyloxy)phenyl]carbamothioyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
N-{[4-(benzyloxy)phenyl]carbamothioyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-2888 |
| Compound Name: | N-{[4-(benzyloxy)phenyl]carbamothioyl}-4-iodo-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 492.34 |
| Molecular Formula: | C19 H17 I N4 O2 S |
| Smiles: | Cn1c(C(NC(Nc2ccc(cc2)OCc2ccccc2)=S)=O)c(cn1)I |
| Stereo: | ACHIRAL |
| logP: | 4.1725 |
| logD: | 4.1663 |
| logSw: | -4.2705 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.983 |
| InChI Key: | LCGURIUDIGXUBP-UHFFFAOYSA-N |