5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3448-5503 |
| Compound Name: | 5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 392.37 |
| Molecular Formula: | C20 H16 N4 O5 |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(C=C2C(NC(NC2=O)=O)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.3837 |
| logD: | 2.0364 |
| logSw: | -3.008 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.537 |
| InChI Key: | QJEZKCQRCSJWFL-UHFFFAOYSA-N |