methyl 3-{[1-(4-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[1-(4-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
methyl 3-{[1-(4-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | V003-8511 |
| Compound Name: | methyl 3-{[1-(4-fluorophenyl)-3,4-dihydroisoquinoline-2(1H)-carbonyl]amino}benzoate |
| Molecular Weight: | 404.44 |
| Molecular Formula: | C24 H21 F N2 O3 |
| Smiles: | COC(c1cccc(c1)NC(N1CCc2ccccc2C1c1ccc(cc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5338 |
| logD: | 5.5338 |
| logSw: | -5.5135 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.856 |
| InChI Key: | JZHMDVRLXLYIJC-QFIPXVFZSA-N |