methyl 5-amino-1-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
Chemical Structure Depiction of
methyl 5-amino-1-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
methyl 5-amino-1-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate
Compound characteristics
| Compound ID: | G892-1189 |
| Compound Name: | methyl 5-amino-1-(4-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-1H-pyrazole-4-carboxylate |
| Molecular Weight: | 385.46 |
| Molecular Formula: | C20 H27 N5 O3 |
| Smiles: | COC(c1cnn(c2ccc(cc2)C(NCCN2CCCCCC2)=O)c1N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9458 |
| logD: | 0.969 |
| logSw: | -2.6104 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.297 |
| InChI Key: | JDLYEUSKRRRYLD-UHFFFAOYSA-N |