methyl 4-{[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 4-{[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamamido}benzoate
methyl 4-{[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | Y044-5534 |
| Compound Name: | methyl 4-{[2-(4-methylpiperazine-1-carbonyl)phenyl]carbamamido}benzoate |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C21 H24 N4 O4 |
| Smiles: | CN1CCN(CC1)C(c1ccccc1NC(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5774 |
| logD: | 2.4465 |
| logSw: | -3.2379 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.142 |
| InChI Key: | XIGKSGPJVKDXOX-UHFFFAOYSA-N |