5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3448-5505 |
| Compound Name: | 5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-dimethyl-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 420.42 |
| Molecular Formula: | C22 H20 N4 O5 |
| Smiles: | CN1C(C(=Cc2ccc(c(c2)[N+]([O-])=O)N2CCc3ccccc3C2)C(N(C)C1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2411 |
| logD: | 3.2411 |
| logSw: | -3.6099 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.02 |
| InChI Key: | FFLMZWBIQGLOHZ-UHFFFAOYSA-N |