methyl 2-chloro-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
Chemical Structure Depiction of
methyl 2-chloro-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
methyl 2-chloro-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate
Compound characteristics
| Compound ID: | 8264-0672 |
| Compound Name: | methyl 2-chloro-5-{4-[(3,4-dihydroisoquinolin-2(1H)-yl)methyl]benzamido}benzoate |
| Molecular Weight: | 434.92 |
| Molecular Formula: | C25 H23 Cl N2 O3 |
| Smiles: | COC(c1cc(ccc1[Cl])NC(c1ccc(CN2CCc3ccccc3C2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1316 |
| logD: | 4.8315 |
| logSw: | -5.4311 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.898 |
| InChI Key: | GZKQCPNYBHAFJM-UHFFFAOYSA-N |