1-tert-butyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
1-tert-butyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
1-tert-butyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione
Compound characteristics
| Compound ID: | 8012-6699 |
| Compound Name: | 1-tert-butyl-5-{[4-(dimethylamino)-3-nitrophenyl]methylidene}-1,3-diazinane-2,4,6-trione |
| Molecular Weight: | 360.37 |
| Molecular Formula: | C17 H20 N4 O5 |
| Smiles: | CC(C)(C)N1C(C(=C\c2ccc(c(c2)[N+]([O-])=O)N(C)C)\C(NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9778 |
| logD: | 1.9672 |
| logSw: | -2.7008 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.942 |
| InChI Key: | MBSCYYFTGCJCPI-UHFFFAOYSA-N |