methyl 4-[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate
Chemical Structure Depiction of
methyl 4-[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate
methyl 4-[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate
Compound characteristics
| Compound ID: | V008-4880 |
| Compound Name: | methyl 4-[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]benzoate |
| Molecular Weight: | 405.88 |
| Molecular Formula: | C24 H20 Cl N O3 |
| Smiles: | COC(c1ccc(cc1)C(N1CCc2ccccc2C1c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.7379 |
| logD: | 5.7379 |
| logSw: | -5.909 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.035 |
| InChI Key: | JHFRPZRQMRPJFA-QFIPXVFZSA-N |