methyl 2-{[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 2-{[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V003-6997 |
| Compound Name: | methyl 2-{[1-(2-chlorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 420.89 |
| Molecular Formula: | C24 H21 Cl N2 O3 |
| Smiles: | COC(c1ccccc1NC(N1CCc2ccccc2C1c1ccccc1[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9313 |
| logD: | 5.9311 |
| logSw: | -5.9277 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.158 |
| InChI Key: | WMWKIANTNJUKJE-QFIPXVFZSA-N |