N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-1260 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-(3,5-dimethoxybenzamido)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 495.89 |
| Molecular Formula: | C25 H19 Cl F N3 O5 |
| Smiles: | COc1cc(cc(c1)OC)C(NN1C=C(C(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9583 |
| logD: | 3.1227 |
| logSw: | -4.4225 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.24 |
| InChI Key: | JOVIUVXIQZLTMG-UHFFFAOYSA-N |