N-(3,4-dichlorophenyl)-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Chemical Structure Depiction of
N-(3,4-dichlorophenyl)-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
N-(3,4-dichlorophenyl)-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide
Compound characteristics
| Compound ID: | 8015-0037 |
| Compound Name: | N-(3,4-dichlorophenyl)-1-[({[4-(furan-2-yl)-2,6-dioxocyclohexylidene]methyl}amino)methyl]-3,4-dihydroisoquinoline-2(1H)-carboxamide |
| Molecular Weight: | 538.43 |
| Molecular Formula: | C28 H25 Cl2 N3 O4 |
| Smiles: | C1CN(C(CNC=C2C(CC(CC2=O)c2ccco2)=O)c2ccccc12)C(Nc1ccc(c(c1)[Cl])[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3454 |
| logD: | 5.3449 |
| logSw: | -6.0512 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.761 |
| InChI Key: | PAORFWANBUVXDA-LUTIACGYSA-N |