5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3448-5504 |
| Compound Name: | 5-{[4-(3,4-dihydroisoquinolin-2(1H)-yl)-3-nitrophenyl]methylidene}-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | C1CN(Cc2ccccc12)c1ccc(C=C2C(NC(NC2=O)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4793 |
| logD: | 3.0537 |
| logSw: | -3.9583 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.52 |
| InChI Key: | RQEOTCITDGAHRT-UHFFFAOYSA-N |