methyl 2-{[1-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 2-{[1-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V001-6658 |
| Compound Name: | methyl 2-{[1-(4-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C24 H21 Cl N2 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCc2ccccc2C1c1ccc(cc1)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9487 |
| logD: | 5.9485 |
| logSw: | -6.2505 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.158 |
| InChI Key: | ISBALFYMDLZNRQ-QFIPXVFZSA-N |