N-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Chemical Structure Depiction of
N-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
N-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
Compound characteristics
| Compound ID: | M575-0330 |
| Compound Name: | N-[(2-chloro-4-fluorophenyl)methyl]-3-oxo-2-propyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide |
| Molecular Weight: | 374.84 |
| Molecular Formula: | C20 H20 Cl F N2 O2 |
| Smiles: | CCCN1C(C(NCc2ccc(cc2[Cl])F)=O)c2ccccc2CC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9308 |
| logD: | 3.9308 |
| logSw: | -4.2233 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.864 |
| InChI Key: | MOLYJGWQLRQNNK-LJQANCHMSA-N |