5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 8005-1690 |
| Compound Name: | 5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 426.45 |
| Molecular Formula: | C20 H18 N4 O5 S |
| Smiles: | CN(C)c1ccc(\C=C2/C(NC(N(C2=O)c2ccc(cc2)OC)=S)=O)cc1[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7733 |
| logD: | 2.3983 |
| logSw: | -3.5892 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.356 |
| InChI Key: | VWTXXDOJFJSALM-UHFFFAOYSA-N |