methyl N-benzyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Chemical Structure Depiction of
methyl N-benzyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
methyl N-benzyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate
Compound characteristics
| Compound ID: | D019-1004 |
| Compound Name: | methyl N-benzyl-N'-(3-phenyl-1H-pyrazol-5-yl)carbamimidothioate |
| Molecular Weight: | 322.43 |
| Molecular Formula: | C18 H18 N4 S |
| Smiles: | CSC(\NCc1ccccc1)=N/c1cc(c2ccccc2)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 4.0622 |
| logD: | 1.9165 |
| logSw: | -4.1458 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 41.905 |
| InChI Key: | GFQGRYACLZCSIV-UHFFFAOYSA-N |