N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | L120-0792 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-(4-fluorophenyl)-6,6-dimethyl-3,8-dioxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carboxamide |
| Molecular Weight: | 468.91 |
| Molecular Formula: | C25 H22 Cl F N2 O4 |
| Smiles: | CC1(C)CC2C(=CN(C(C=2C(Nc2cc(ccc2OC)[Cl])=O)=O)c2ccc(cc2)F)C(C1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7375 |
| logD: | 1.8614 |
| logSw: | -4.3214 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.218 |
| InChI Key: | BUUJGFAIHXXNSW-UHFFFAOYSA-N |