2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-phenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-phenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-phenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0870 |
| Compound Name: | 2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-N-phenyl-N-(prop-2-en-1-yl)-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C27 H25 F N2 O3 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(N(CC=C)c2ccccc2)=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8067 |
| logD: | 3.8067 |
| logSw: | -4.1013 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 44.796 |
| InChI Key: | LLKMYURMQSILGH-UHFFFAOYSA-N |