5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 2897-1440 |
| Compound Name: | 5-({3-methoxy-4-[(4-nitrophenyl)methoxy]phenyl}methylidene)-1-(4-methoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 519.53 |
| Molecular Formula: | C26 H21 N3 O7 S |
| Smiles: | COc1ccc(cc1)N1C(C(=C\c2ccc(c(c2)OC)OCc2ccc(cc2)[N+]([O-])=O)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8646 |
| logD: | 3.4895 |
| logSw: | -4.2374 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.098 |
| InChI Key: | JBAOMPVICUYTQI-UHFFFAOYSA-N |