N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
Compound ID: | L120-1442 |
Compound Name: | N-[(2-fluorophenyl)methyl]-6,6-dimethyl-3,8-dioxo-2-phenyl-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
Molecular Weight: | 418.47 |
Molecular Formula: | C25 H23 F N2 O3 |
Smiles: | CC1(C)CC2C(=CN(C(C=2C(NCc2ccccc2F)=O)=O)c2ccccc2)C(C1)=O |
Stereo: | ACHIRAL |
logP: | 3.2111 |
logD: | 3.2062 |
logSw: | -3.3657 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 53.608 |
InChI Key: | DIUOWVKEFBNSFP-UHFFFAOYSA-N |