N-(3,4-dichlorophenyl)-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(3,4-dichlorophenyl)-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | 8014-2042 |
| Compound Name: | N-(3,4-dichlorophenyl)-1-[({[4-(4-fluorophenyl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 566.46 |
| Molecular Formula: | C30 H26 Cl2 F N3 O3 |
| Smiles: | C1CN(C(CNC=C2C(CC(CC2=O)c2ccc(cc2)F)=O)c2ccccc12)C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2563 |
| logD: | 6.2558 |
| logSw: | -6.4539 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.183 |
| InChI Key: | QMPJPXZFEKBLKM-OHMHCFLMSA-N |