5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Chemical Structure Depiction of
5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Compound characteristics
Compound ID: | 8008-8394 |
Compound Name: | 5-[(3-iodo-4-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione |
Molecular Weight: | 417.11 |
Molecular Formula: | C12 H8 I N3 O6 |
Smiles: | COc1c(cc(C=C2C(NC(NC2=O)=O)=O)cc1I)[N+]([O-])=O |
Stereo: | ACHIRAL |
logP: | 1.5277 |
logD: | 1.1805 |
logSw: | -2.4284 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 103.441 |
InChI Key: | SXTPUPKBUYBBRY-UHFFFAOYSA-N |