methyl 3-[3-{[(4-chlorophenyl)methyl]carbamoyl}-3-methyl-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Chemical Structure Depiction of
methyl 3-[3-{[(4-chlorophenyl)methyl]carbamoyl}-3-methyl-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
methyl 3-[3-{[(4-chlorophenyl)methyl]carbamoyl}-3-methyl-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate
Compound characteristics
| Compound ID: | L678-0251 |
| Compound Name: | methyl 3-[3-{[(4-chlorophenyl)methyl]carbamoyl}-3-methyl-1-oxo-3,4-dihydroisoquinolin-2(1H)-yl]benzoate |
| Molecular Weight: | 462.93 |
| Molecular Formula: | C26 H23 Cl N2 O4 |
| Smiles: | CC1(Cc2ccccc2C(N1c1cccc(c1)C(=O)OC)=O)C(NCc1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6908 |
| logD: | 4.6908 |
| logSw: | -4.8469 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.909 |
| InChI Key: | OBFPGCPMOGHJFN-SANMLTNESA-N |