1-(4-tert-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-(4-tert-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
1-(4-tert-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 3269-0494 |
| Compound Name: | 1-(4-tert-butylphenyl)-5-{[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 493.9 |
| Molecular Formula: | C25 H20 Cl N3 O6 |
| Smiles: | CC(C)(C)c1ccc(cc1)N1C(C(=C\c2ccc(c3cc(ccc3[Cl])[N+]([O-])=O)o2)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7225 |
| logD: | 5.4098 |
| logSw: | -5.97 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.342 |
| InChI Key: | GNGGWRBBPCQAAY-UHFFFAOYSA-N |