5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Chemical Structure Depiction of
5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
Compound characteristics
| Compound ID: | 3269-0172 |
| Compound Name: | 5-{[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene}-1-(4-methylphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione |
| Molecular Weight: | 463.47 |
| Molecular Formula: | C23 H17 N3 O6 S |
| Smiles: | Cc1ccc(cc1)N1C(C(=C\c2ccc(c3ccc(cc3OC)[N+]([O-])=O)o2)\C(NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3913 |
| logD: | 4.0051 |
| logSw: | -4.4515 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.81 |
| InChI Key: | IZVRXSOJLUUANK-UHFFFAOYSA-N |