methyl 3-{[2-(azepan-1-yl)-5-benzamidophenyl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[2-(azepan-1-yl)-5-benzamidophenyl]carbamamido}benzoate
methyl 3-{[2-(azepan-1-yl)-5-benzamidophenyl]carbamamido}benzoate
Compound characteristics
| Compound ID: | F694-1403 |
| Compound Name: | methyl 3-{[2-(azepan-1-yl)-5-benzamidophenyl]carbamamido}benzoate |
| Molecular Weight: | 486.57 |
| Molecular Formula: | C28 H30 N4 O4 |
| Smiles: | COC(c1cccc(c1)NC(Nc1cc(ccc1N1CCCCCC1)NC(c1ccccc1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2204 |
| logD: | 5.9613 |
| logSw: | -5.4858 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 79.591 |
| InChI Key: | VCPAFBJIPQDTCC-UHFFFAOYSA-N |