N-benzyl-N'-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]thiourea
Chemical Structure Depiction of
N-benzyl-N'-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]thiourea
N-benzyl-N'-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]thiourea
Compound characteristics
| Compound ID: | Y503-3921 |
| Compound Name: | N-benzyl-N'-[(4-chloro-1-methyl-1H-pyrazol-5-yl)methyl]thiourea |
| Molecular Weight: | 294.8 |
| Molecular Formula: | C13 H15 Cl N4 S |
| Smiles: | Cn1c(CNC(NCc2ccccc2)=S)c(cn1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.7648 |
| logD: | 1.7648 |
| logSw: | -2.2928 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 35.702 |
| InChI Key: | ZFVWHJRCPBZDPM-UHFFFAOYSA-N |