methyl 5-amino-1-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1H-pyrazole-4-carboxylate
methyl 5-amino-1-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | G892-1220 |
| Compound Name: | methyl 5-amino-1-[4-({[4-(methylsulfanyl)phenyl]methyl}carbamoyl)phenyl]-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | COC(c1cnn(c2ccc(cc2)C(NCc2ccc(cc2)SC)=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9899 |
| logD: | 2.9899 |
| logSw: | -3.4867 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.142 |
| InChI Key: | MCCFAOLHLUKHDI-UHFFFAOYSA-N |